CompoundList
Sign in
Heterocyclic compounds

Bacmecillinam

Also known as 1-ethoxycarbonyloxyethyl (2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate, Bacmecillinamum, Bacmecilinamo

CAS 50846-45-2Formula C20H31N3O6SMolar mass 441.55 g/mol
Get quotes Safety data
Bacmecillinam chemical structure, C20H31N3O6S, CAS 50846-45-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
50846-45-2
Formula
C20H31N3O6S
Molar mass
441.55 g/mol
HS code
294110
Category
Heterocyclic compounds

What is Bacmecillinam?

Plain description, key identifiers and synonyms

Bacmecillinam is a chemical substance with the molecular formula C20H31N3O6S and a molar mass of 441.55 g/mol. Its CAS registry number is 50846-45-2. The IUPAC name is 1-ethoxycarbonyloxyethyl (2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-ethoxycarbonyloxyethyl (2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CAS number
50846-45-2 CAS number cross-checked
Molecular formula
C20H31N3O6S
UNII
942B99D5UK
InChIKey
XHKFBADIZIDYBU-UCMJJCQDSA-N
InChI
InChI=1S/C20H31N3O6S/c1-5-27-19(26)29-13(2)28-18(25)15-20(3,4)30-17-14(16(24)23(15)17)21-12-22-10-8-6-7-9-11-22/h12-15,17H,5-11H2,1-4H3/t13?,14-,15+,17-/m1/s1
Canonical SMILES
CCOC(=O)OC(C)OC(=O)C1N2C(=O)C(N=CN3CCCCCC3)C2SC1(C)C
Isomeric SMILES
CCOC(=O)OC(C)OC(=O)[C@H]1C(S[C@H]2N1C(=O)[C@H]2N=CN3CCCCCC3)(C)C

Synonyms

  • 1-ethoxycarbonyloxyethyl (2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
  • Bacmecillinamum
  • Bacmecilinamo
  • Bacmecilinam
  • 1-(Ethoxycarbonyloxy)ethyl (2S,5R,6R)-6-((1-azapanyl)methylenamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptan-2-carboxyla

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
441.55 g/molcalc.
Exact mass
441.1934 Dacalc.
LogP (octanol/water)
2.38calc.
Topological polar surface area
97.74 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
6calc.
Heavy atoms
30calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.8calc.
Formal charge
0calc.
Stereocentres
4calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1C(N=CN2CCCCCC2)C2SCCN12

O=C1C(N=CN2CCCCCC2)C2SCCN12

3 rings, 17 atoms.

8 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Bacmecillinam suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade Bacmecillinam can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Bacmecillinam price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Bacmecillinam is traded under.

HS 2941.10Indicative HS code

Penicillins and their derivatives with a penicillanic acid structure, salts thereof

World exports in 2024
$1.66B
−2.5% vs 2023, imports $1.63B
2019 to 2024
Top exporters
  1. China56.8%
  2. Spain13.1%
  3. India * partner reported7.7%
Top importers
  1. India * partner reported16.4%
  2. Austria9.3%
  3. Brazil5.4%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Bacmecillinam is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Bacmecillinam, based on the data on this page

What is Bacmecillinam?

Bacmecillinam is a chemical substance with the molecular formula C20H31N3O6S and a molar mass of 441.55 g/mol. Its CAS registry number is 50846-45-2. The IUPAC name is 1-ethoxycarbonyloxyethyl (2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate.

What is the CAS number of Bacmecillinam?

The CAS registry number of Bacmecillinam is 50846-45-2.

What is the molecular formula and weight of Bacmecillinam?

The molecular formula of Bacmecillinam is C20H31N3O6S and its molar mass is 441.55 g/mol.

What is Bacmecillinam used for?

Known uses and roles of Bacmecillinam include polymer antioxidants in plastics and polymers.

Is Bacmecillinam hazardous?

No GHS hazard classification for Bacmecillinam is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Bacmecillinam?

Bacmecillinam is usually classified under HS code 294110 (Penicillins and their derivatives with a penicillanic acid structure, salts thereof). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Bacmecillinam?

Post a free request on CompoundList and suppliers of Bacmecillinam will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Bacmecillinam?

Suppliers quote Bacmecillinam on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Bacmecillinam

Get quotes for Bacmecillinam

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Bacmecillinam
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Bacmecillinam with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/bacmecillinam-50846-45-2" title="Bacmecillinam structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Heterocyclic compounds or HS code 294110

Price on request
Free quotes, contact stays private
Get quotes