EINECS 249-292-3
TL;DR: EINECS 249-292-3 (CAS 28894-60-2) is a chemical compound with molecular formula C18H19N3O7S and molecular weight 421.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-3-(acetyloxymethyl)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: KST-1A3553, (6r,7r)-3-[(acetyloxy)methyl]-7-{[(2r)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R-(6alpha,7beta(R*)))-3-(Acetoxymethyl)-7-(amino(4-hydroxyphenyl)acetamido)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, (6R,7R)-3-(acetyloxymethyl)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-3-[(ACETYLOXY)METHYL]-7-[(2R)-2-AMINO-2-(4-HYDROXYPHENYL)ACETAMIDO]-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID
| Molecular Formula | C18H19N3O7S |
|---|---|
| Molecular Weight | 421.09 g/mol |
| LogP | -3.3 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 421.09436 |
| Heavy Atoms | 29 |
| Complexity | 748.0 |
Chemical Identifiers
| CAS Number | 28894-60-2 |
|---|---|
| SMILES | CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)SC1)C(=O)O |
| InChIKey | FALSWZNHFGSOHY-PBFPGSCMSA-N |
Product Overview
EINECS 249-292-3 (CAS 28894-60-2), with molecular formula C18H19N3O7S and molecular weight 421.09 g/mol. IUPAC: (6R,7R)-3-(acetyloxymethyl)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of EINECS 249-292-3
Property Insights of EINECS 249-292-3
The XLogP value of -3.3 indicates that EINECS 249-292-3 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 185.0 Ų indicates high polarity, suggesting EINECS 249-292-3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 249-292-3 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 249-292-3?
The CAS number of EINECS 249-292-3 is 28894-60-2.
What is the molecular formula of EINECS 249-292-3?
The molecular formula of EINECS 249-292-3 is C18H19N3O7S.
What is the molecular weight of EINECS 249-292-3?
The molecular weight of EINECS 249-292-3 is 421.09 g/mol.
Where can I buy EINECS 249-292-3?
You can request a quote for EINECS 249-292-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 249-292-3?
Yes, KEHONG BIO provides custom synthesis services for EINECS 249-292-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.