S-EPCA
TL;DR: S-EPCA (CAS 19217-59-5) is a chemical compound with molecular formula C29H34FN5O8S and molecular weight 631.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
Also Known As: S-EPCA, KST-1A2392, (3-((Acetyloxy)methyl)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4,2,0)oct-2-en-7-yl)ammonium,1-cyclopropyl-7-(4-ethyl-1-ethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-3-quinoline carboxylate, (6r,7r)-3-[(acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid- 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid(1:1), (6R,7R)-3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
| Molecular Formula | C29H34FN5O8S |
|---|---|
| Molecular Weight | 631.21 g/mol |
| LogP | 1.4462 |
| Topological Polar Surface Area | 199.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 631.21124 |
| Heavy Atoms | 44 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 19217-59-5 |
|---|---|
| SMILES | CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F.CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)O |
| InChIKey | QYNCYCBEKLWRJN-JRHRPUMJSA-N |
Product Overview
S-EPCA (CAS 19217-59-5), with molecular formula C29H34FN5O8S and molecular weight 631.21 g/mol. IUPAC: (6R,7R)-3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of S-EPCA
Property Insights of S-EPCA
The XLogP value of 1.4462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-EPCA. The TPSA of 199.0 Ų indicates high polarity, suggesting S-EPCA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S-EPCA has 3 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-EPCA?
The CAS number of S-EPCA is 19217-59-5.
What is the molecular formula of S-EPCA?
The molecular formula of S-EPCA is C29H34FN5O8S.
What is the molecular weight of S-EPCA?
The molecular weight of S-EPCA is 631.21 g/mol.
Where can I buy S-EPCA?
You can request a quote for S-EPCA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-EPCA?
Yes, KEHONG BIO provides custom synthesis services for S-EPCA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.