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Screening compounds

Deacetylcephaloglycin

Also known as (6R-(6 alpha,7 beta(R*)))-7-((aminophenylacetyl)amino)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, (6r,7r)-7-{[amino(phenyl)acetyl]amino}-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-7-[(2-amino-2-phenylacetyl)amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CAS 3890-34-4Formula C16H17N3O5SMolar mass 363.40 g/mol
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Deacetylcephaloglycin chemical structure, C16H17N3O5S, CAS 3890-34-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
3890-34-4
Formula
C16H17N3O5S
Molar mass
363.40 g/mol
HS code
294190
Category
Screening compounds

What is Deacetylcephaloglycin?

Plain description, key identifiers and synonyms

Deacetylcephaloglycin is a chemical substance with the molecular formula C16H17N3O5S and a molar mass of 363.40 g/mol. Its CAS registry number is 3890-34-4. The IUPAC name is (6R,7R)-7-[(2-amino-2-phenylacetyl)amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(6R,7R)-7-[(2-amino-2-phenylacetyl)amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS number
3890-34-4 CAS number cross-checked
Molecular formula
C16H17N3O5S
InChIKey
HUKRJWVLQPKROI-HUFXEGEASA-N
InChI
InChI=1S/C16H17N3O5S/c17-10(8-4-2-1-3-5-8)13(21)18-11-14(22)19-12(16(23)24)9(6-20)7-25-15(11)19/h1-5,10-11,15,20H,6-7,17H2,(H,18,21)(H,23,24)/t10?,11-,15-/m1/s1
Canonical SMILES
NC(C(=O)NC1C(=O)N2C(C(=O)O)=C(CO)CSC12)c1ccccc1
Isomeric SMILES
C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)CO

Synonyms

  • (6R-(6 alpha,7 beta(R*)))-7-((aminophenylacetyl)amino)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-{[amino(phenyl)acetyl]amino}-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6R,7R)-7-[(2-amino-2-phenylacetyl)amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6R-(6alpha,7beta(R*)))-7-((Aminophenylacetyl)amino)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
  • (6R,7R)-7-[(2-Amino-1-hydroxy-2-phenylethylidene)amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • 7-[(2-Amino-1-hydroxy-2-phenylethylidene)amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-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
363.40 g/molcalc.
Exact mass
363.0889 Dacalc.
LogP (octanol/water)
-0.58calc.
Topological polar surface area
133 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
5calc.
Heavy atoms
25calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.31calc.
Formal charge
0calc.
Stereocentres
3calc.
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=C(Cc1ccccc1)NC1C(=O)N2C=CCSC12

O=C(Cc1ccccc1)NC1C(=O)N2C=CCSC12

3 rings, 19 atoms.

98 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.

Deacetylcephaloglycin suppliers

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Deacetylcephaloglycin price

Indicative price range per kg from live supplier offers

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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 Deacetylcephaloglycin is traded under.

HS 2941.90Indicative HS code

Antibiotics, other

World exports in 2024
$6.39B
+2.3% vs 2023, imports $6.97B
2019 to 2024
Top exporters
  1. China39.7%
  2. United States11.3%
  3. Switzerland * partner reported10.9%
Top importers
  1. Italy15.0%
  2. India * partner reported12.0%
  3. China8.7%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Deacetylcephaloglycin?

Deacetylcephaloglycin is a chemical substance with the molecular formula C16H17N3O5S and a molar mass of 363.40 g/mol. Its CAS registry number is 3890-34-4. The IUPAC name is (6R,7R)-7-[(2-amino-2-phenylacetyl)amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.

What is the CAS number of Deacetylcephaloglycin?

The CAS registry number of Deacetylcephaloglycin is 3890-34-4.

What is the molecular formula and weight of Deacetylcephaloglycin?

The molecular formula of Deacetylcephaloglycin is C16H17N3O5S and its molar mass is 363.40 g/mol.

What is Deacetylcephaloglycin used for?

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

Is Deacetylcephaloglycin hazardous?

No GHS hazard classification for Deacetylcephaloglycin 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 Deacetylcephaloglycin?

Deacetylcephaloglycin is usually classified under HS code 294190 (Antibiotics, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Deacetylcephaloglycin?

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

What is the price of Deacetylcephaloglycin?

Suppliers quote Deacetylcephaloglycin 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 Deacetylcephaloglycin

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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