头孢唑兰
TL;DR: 头孢唑兰 (CAS 113359-04-9) is a chemical compound with molecular formula C19H17N9O5S2 and molecular weight 515.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
头孢唑兰
7-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-(imidazo[1,2-b]pyridazin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: Cefozopran, Firstcin, Cefozopran [INN], CZOP, Cefozopran hydrochloride
| Molecular Formula | C19H17N9O5S2 |
|---|---|
| Molecular Weight | 515.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 238.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 515.0794 |
| Heavy Atoms | 35 |
| Complexity | 959.0 |
Chemical Identifiers
| CAS Number | 113359-04-9 |
|---|---|
| SMILES | CON=C(C1=NSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=C5C=CC=NN5C=C4)C(=O)[O-] |
| InChIKey | QDUIJCOKQCCXQY-UHFFFAOYSA-N |
Product Overview
头孢唑兰 (CAS 113359-04-9), with molecular formula C19H17N9O5S2 and molecular weight 515.08 g/mol. IUPAC: 7-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-(imidazo[1,2-b]pyridazin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.
Chemical Property Profile of 头孢唑兰
Property Insights of 头孢唑兰
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 头孢唑兰. The TPSA of 238.0 Ų indicates high polarity, suggesting 头孢唑兰 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 头孢唑兰 has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 头孢唑兰?
The CAS number of 头孢唑兰 is 113359-04-9.
What is the molecular formula of 头孢唑兰?
The molecular formula of 头孢唑兰 is C19H17N9O5S2.
What is the molecular weight of 头孢唑兰?
The molecular weight of 头孢唑兰 is 515.08 g/mol.
Where can I buy 头孢唑兰?
You can request a quote for 头孢唑兰 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 头孢唑兰?
Yes, KEHONG BIO provides custom synthesis services for 头孢唑兰 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.