C14H15ClN2O7S
TL;DR: C14H15ClN2O7S (CAS 58684-54-1) is a chemical compound with molecular formula C14H15ClN2O7S and molecular weight 390.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(acetyloxymethyl)-7-[(4-chloro-3-oxobutanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: 7-(, A-chloroacetoacetamido)cephalosporanic acid, 7-(4-chloro-3-oxobutyrylamino)cephalosporanic acid, (6R-trans)-3-(Acetoxymethyl)-7-((4-chloro-1,3-dioxobutyl)amino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[(4-chloro-3-oxobutanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C14H15ClN2O7S |
|---|---|
| Molecular Weight | 390.03 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 390.02884 |
| Heavy Atoms | 25 |
| Complexity | 678.0 |
Chemical Identifiers
| CAS Number | 58684-54-1 |
|---|---|
| SMILES | CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC(=O)CCl)SC1)C(=O)O |
| InChIKey | IKRWLWZYTNQCOD-UHFFFAOYSA-N |
Product Overview
C14H15ClN2O7S (CAS 58684-54-1), with molecular formula C14H15ClN2O7S and molecular weight 390.03 g/mol. IUPAC: 3-(acetyloxymethyl)-7-[(4-chloro-3-oxobutanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of C14H15ClN2O7S
Property Insights of C14H15ClN2O7S
The XLogP value of -0.5 indicates that C14H15ClN2O7S is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 155.0 Ų indicates high polarity, suggesting C14H15ClN2O7S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C14H15ClN2O7S has 2 hydrogen bond donor(s) and 8 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 C14H15ClN2O7S?
The CAS number of C14H15ClN2O7S is 58684-54-1.
What is the molecular formula of C14H15ClN2O7S?
The molecular formula of C14H15ClN2O7S is C14H15ClN2O7S.
What is the molecular weight of C14H15ClN2O7S?
The molecular weight of C14H15ClN2O7S is 390.03 g/mol.
Where can I buy C14H15ClN2O7S?
You can request a quote for C14H15ClN2O7S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C14H15ClN2O7S?
Yes, KEHONG BIO provides custom synthesis services for C14H15ClN2O7S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.