头孢甲肟
TL;DR: 头孢甲肟 (CAS 65085-01-0) is a chemical compound with molecular formula C16H17N9O5S3 and molecular weight 511.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
头孢甲肟
7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: cefmenoxime, Cefmenoxima, Cefmenoximum, Tacef, Cefmenoxime [INN]
| Molecular Formula | C16H17N9O5S3 |
|---|---|
| Molecular Weight | 511.05 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 270.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 511.05148 |
| Heavy Atoms | 33 |
| Complexity | 890.0 |
Chemical Identifiers
| CAS Number | 65085-01-0 |
|---|---|
| SMILES | CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O |
| InChIKey | HJJDBAOLQAWBMH-UHFFFAOYSA-N |
Product Overview
头孢甲肟 (CAS 65085-01-0), with molecular formula C16H17N9O5S3 and molecular weight 511.05 g/mol. IUPAC: 7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-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 头孢甲肟
Property Insights of 头孢甲肟
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 头孢甲肟. The TPSA of 270.0 Ų indicates high polarity, suggesting 头孢甲肟 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 头孢甲肟 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 头孢甲肟?
The CAS number of 头孢甲肟 is 65085-01-0.
What is the molecular formula of 头孢甲肟?
The molecular formula of 头孢甲肟 is C16H17N9O5S3.
What is the molecular weight of 头孢甲肟?
The molecular weight of 头孢甲肟 is 511.05 g/mol.
Where can I buy 头孢甲肟?
You can request a quote for 头孢甲肟 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 头孢甲肟?
Yes, KEHONG BIO provides custom synthesis services for 头孢甲肟 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.