头孢替坦
TL;DR: 头孢替坦 (CAS 69712-56-7) is a chemical compound with molecular formula C17H17N7O8S4 and molecular weight 575.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
头孢替坦
(7S)-7-[[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietane-2-carbonyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: cefotetan, Cefotan, Ceftotan, Yamatetan, Cefotetan disodium salt
| Molecular Formula | C17H17N7O8S4 |
|---|---|
| Molecular Weight | 575.00 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 321.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 9 |
| Exact Mass | 575.00214 |
| Heavy Atoms | 36 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 69712-56-7 |
|---|---|
| SMILES | CN1C(=NN=N1)SCC2=C(N3C([C@@](C3=O)(NC(=O)C4SC(=C(C(=O)N)C(=O)O)S4)OC)SC2)C(=O)O |
| InChIKey | SRZNHPXWXCNNDU-PGEKIEPBSA-N |
Product Overview
头孢替坦 (CAS 69712-56-7), with molecular formula C17H17N7O8S4 and molecular weight 575.00 g/mol. IUPAC: (7S)-7-[[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietane-2-carbonyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of 头孢替坦
Property Insights of 头孢替坦
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 头孢替坦. The TPSA of 321.0 Ų indicates high polarity, suggesting 头孢替坦 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 头孢替坦 has 4 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 头孢替坦?
The CAS number of 头孢替坦 is 69712-56-7.
What is the molecular formula of 头孢替坦?
The molecular formula of 头孢替坦 is C17H17N7O8S4.
What is the molecular weight of 头孢替坦?
The molecular weight of 头孢替坦 is 575.00 g/mol.
Where can I buy 头孢替坦?
You can request a quote for 头孢替坦 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 头孢替坦?
Yes, KEHONG BIO provides custom synthesis services for 头孢替坦 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.