CompoundList
Sign in
Screening compounds

Orb2943016

Also known as (5R,6E)-3-(2-Acetamidoethylsulfinyl)-6-(1-hydroxypropan-2-ylidene)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

CAS 79366-72-6Formula C14H18N2O6SMolar mass 342.37 g/mol
Get quotes Safety data
Orb2943016 chemical structure, C14H18N2O6S, CAS 79366-72-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
79366-72-6
Formula
C14H18N2O6S
Molar mass
342.37 g/mol
HS code
293379
Category
Screening compounds

What is Orb2943016?

Plain description, key identifiers and synonyms

Orb2943016 is a chemical substance with the molecular formula C14H18N2O6S and a molar mass of 342.37 g/mol. Its CAS registry number is 79366-72-6. The IUPAC name is (5R,6E)-3-(2-acetamidoethylsulfinyl)-6-(1-hydroxypropan-2-ylidene)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(5R,6E)-3-(2-acetamidoethylsulfinyl)-6-(1-hydroxypropan-2-ylidene)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CAS number
79366-72-6
Molecular formula
C14H18N2O6S
InChIKey
IATDYGCCUJUVGA-BNLQIOLZSA-N
InChI
InChI=1S/C14H18N2O6S/c1-7(6-17)11-9-5-10(23(22)4-3-15-8(2)18)12(14(20)21)16(9)13(11)19/h9,17H,3-6H2,1-2H3,(H,15,18)(H,20,21)/b11-7+/t9-,23?/m1/s1
Canonical SMILES
CC(=O)NCCS(=O)C1=C(C(=O)O)N2C(=O)C(=C(C)CO)C2C1
Isomeric SMILES
C/C(=C\1/[C@H]2CC(=C(N2C1=O)C(=O)O)S(=O)CCNC(=O)C)/CO

Synonyms

  • (5R,6E)-3-(2-Acetamidoethylsulfinyl)-6-(1-hydroxypropan-2-ylidene)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

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
342.37 g/molcalc.
Exact mass
342.0886 Dacalc.
LogP (octanol/water)
-0.91calc.
Topological polar surface area
124 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
6calc.
Heavy atoms
23calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.5calc.
Formal charge
0calc.
Stereocentres
2calc.
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, C=C1C(=O)N2C=CCC12

C=C1C(=O)N2C=CCC12

2 rings, 9 atoms.

4 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.

Orb2943016 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 Orb2943016 can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Orb2943016 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 Orb2943016 is traded under.

HS 2933.79Indicative HS code

Lactams, other lactams

World exports in 2024
$16.2B
−64.4% vs 2023, imports $15.4B
2019 to 2024
Top exporters
  1. Ireland37.0%
  2. France * partner reported15.6%
  3. Spain11.3%
Top importers
  1. Germany27.8%
  2. Ireland18.9%
  3. Panama * partner reported12.9%

* Partner reported figures, a lower bound.

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

The HS code shown for Orb2943016 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb2943016, based on the data on this page

What is Orb2943016?

Orb2943016 is a chemical substance with the molecular formula C14H18N2O6S and a molar mass of 342.37 g/mol. Its CAS registry number is 79366-72-6. The IUPAC name is (5R,6E)-3-(2-acetamidoethylsulfinyl)-6-(1-hydroxypropan-2-ylidene)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.

What is the CAS number of Orb2943016?

The CAS registry number of Orb2943016 is 79366-72-6.

What is the molecular formula and weight of Orb2943016?

The molecular formula of Orb2943016 is C14H18N2O6S and its molar mass is 342.37 g/mol.

What is Orb2943016 used for?

Known uses and roles of Orb2943016 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb2943016 hazardous?

No GHS hazard classification for Orb2943016 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 Orb2943016?

Orb2943016 is usually classified under HS code 293379 (Lactams, other lactams). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb2943016?

Post a free request on CompoundList and suppliers of Orb2943016 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb2943016?

Suppliers quote Orb2943016 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 Orb2943016

Get quotes for Orb2943016

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Orb2943016
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 Orb2943016 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/orb2943016-79366-72-6" title="Orb2943016 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 Screening compounds or HS code 293379

Price on request
Free quotes, contact stays private
Get quotes