头孢罗膦
TL;DR: 头孢罗膦 (CAS 95761-91-4) 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.
头孢罗膦
1-cyclohexyloxycarbonyloxyethyl 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, CTM-HE;SCE-2174, BRD-A76661185-300-01-6, BRD-A76661185-300-02-4
| 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 | 95761-91-4 |
|---|---|
| SMILES | CC(OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)CC3=CSC(=N3)N)CSC4=NN=NN4CCN(C)C)OC(=O)OC5CCCCC5 |
| InChIKey | VVFDMWZLBPUKTD-UHFFFAOYSA-N |
Product Overview
头孢罗膦 (CAS 95761-91-4), with molecular formula C27H37N9O7S3 and molecular weight 695.20 g/mol. IUPAC: 1-cyclohexyloxycarbonyloxyethyl 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 头孢罗膦
Property Insights of 头孢罗膦
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 头孢罗膦. The TPSA of 276.0 Ų indicates high polarity, suggesting 头孢罗膦 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 头孢罗膦 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 头孢罗膦?
The CAS number of 头孢罗膦 is 95761-91-4.
What is the molecular formula of 头孢罗膦?
The molecular formula of 头孢罗膦 is C27H37N9O7S3.
What is the molecular weight of 头孢罗膦?
The molecular weight of 头孢罗膦 is 695.20 g/mol.
Where can I buy 头孢罗膦?
You can request a quote for 头孢罗膦 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 头孢罗膦?
Yes, KEHONG BIO provides custom synthesis services for 头孢罗膦 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.