Cephachlomezine
TL;DR: Cephachlomezine (CAS 2555-20-6) is a chemical compound with molecular formula C23H27ClN4O4S3 and molecular weight 554.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-7-[[2-(3-chlorophenyl)acetyl]amino]-3-[(4,4-dimethylpiperazin-4-ium-1-carbothioyl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: Cephachlomezine, cefaclomezine, (6r,7r)-7-{[(3-chlorophenyl)acetyl]amino}-3-({[(4,4-dimethylpiperazin-4-ium-1-yl)carbothioyl]sulfanyl}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, 7-(m-Chlorophenylacetamido)-3-(4,4-dimethylpiperazinium-1-thiocarbonyl-thiomethyl)-3-cephem-4-carboxylate, Piperazinium,4-[[[[(6R,7R)-2-carboxy-7-[[(3-chlorophenyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]thio]thioxomethyl]-1,1-dimethyl-,inner salt
| Molecular Formula | C23H27ClN4O4S3 |
|---|---|
| Molecular Weight | 554.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 554.0883 |
| Heavy Atoms | 35 |
| Complexity | 915.0 |
Chemical Identifiers
| CAS Number | 2555-20-6 |
|---|---|
| SMILES | C[N+]1(CCN(CC1)C(=S)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CC4=CC(=CC=C4)Cl)SC2)C(=O)[O-])C |
| InChIKey | ZWTPTPWLMRXLJE-WIYYLYMNSA-N |
Product Overview
Cephachlomezine (CAS 2555-20-6), with molecular formula C23H27ClN4O4S3 and molecular weight 554.09 g/mol. IUPAC: (6R,7R)-7-[[2-(3-chlorophenyl)acetyl]amino]-3-[(4,4-dimethylpiperazin-4-ium-1-carbothioyl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.
Chemical Property Profile of Cephachlomezine
Property Insights of Cephachlomezine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cephachlomezine. The TPSA of 175.0 Ų indicates high polarity, suggesting Cephachlomezine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cephachlomezine has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cephachlomezine?
The CAS number of Cephachlomezine is 2555-20-6.
What is the molecular formula of Cephachlomezine?
The molecular formula of Cephachlomezine is C23H27ClN4O4S3.
What is the molecular weight of Cephachlomezine?
The molecular weight of Cephachlomezine is 554.09 g/mol.
Where can I buy Cephachlomezine?
You can request a quote for Cephachlomezine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cephachlomezine?
Yes, KEHONG BIO provides custom synthesis services for Cephachlomezine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.