Cefotiam hexetil
TL;DR: Cefotiam hexetil (CAS 95789-30-3) is a chemical compound with molecular formula C27H37N9O7S3 and molecular weight 695.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclohexyloxycarbonyloxyethyl (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: Cefotiam hexetil, cefotiam hexetil ester, cefotiam, Pansporin T, Cefotiam cilexetil
| Molecular Formula | C27H37N9O7S3 |
|---|---|
| Molecular Weight | 695.20 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 276.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 16 |
| Exact Mass | 695.1978 |
| Heavy Atoms | 46 |
| Complexity | 1160.0 |
Chemical Identifiers
| CAS Number | 95789-30-3 |
|---|---|
| SMILES | CC(OC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)CC3=CSC(=N3)N)CSC4=NN=NN4CCN(C)C)OC(=O)OC5CCCCC5 |
| InChIKey | VVFDMWZLBPUKTD-ZKRNHDOASA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cefotiam hexetil (CAS 95789-30-3), with molecular formula C27H37N9O7S3 and molecular weight 695.20 g/mol. IUPAC: 1-cyclohexyloxycarbonyloxyethyl (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.
Chemical Property Profile of Cefotiam hexetil
Property Insights of Cefotiam hexetil
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cefotiam hexetil. The TPSA of 276.0 Ų indicates high polarity, suggesting Cefotiam hexetil may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cefotiam hexetil has 2 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cefotiam hexetil?
The CAS number of Cefotiam hexetil is 95789-30-3.
What is the molecular formula of Cefotiam hexetil?
The molecular formula of Cefotiam hexetil is C27H37N9O7S3.
What is the molecular weight of Cefotiam hexetil?
The molecular weight of Cefotiam hexetil is 695.20 g/mol.
Where can I buy Cefotiam hexetil?
You can request a quote for Cefotiam hexetil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cefotiam hexetil?
Yes, KEHONG BIO provides custom synthesis services for Cefotiam hexetil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.