头孢磺啶
TL;DR: 头孢磺啶 (CAS 62587-73-9) is a chemical compound with molecular formula C22H20N4O8S2 and molecular weight 532.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
头孢磺啶
3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[(2-phenyl-2-sulfoacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: cefsulodin, Monaspor, Abbott 46811, Cefsulodin [INN:BAN], Cefsulodin Monosodium Salt
| Molecular Formula | C22H20N4O8S2 |
|---|---|
| Molecular Weight | 532.07 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 225.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 532.07227 |
| Heavy Atoms | 36 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 62587-73-9 |
|---|---|
| SMILES | C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)O)C(=O)[O-])C[N+]4=CC=C(C=C4)C(=O)N |
| InChIKey | SYLKGLMBLAAGSC-UHFFFAOYSA-N |
Product Overview
头孢磺啶 (CAS 62587-73-9), with molecular formula C22H20N4O8S2 and molecular weight 532.07 g/mol. IUPAC: 3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[(2-phenyl-2-sulfoacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.
Chemical Property Profile of 头孢磺啶
Property Insights of 头孢磺啶
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 头孢磺啶. The TPSA of 225.0 Ų indicates high polarity, suggesting 头孢磺啶 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 头孢磺啶 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 头孢磺啶?
The CAS number of 头孢磺啶 is 62587-73-9.
What is the molecular formula of 头孢磺啶?
The molecular formula of 头孢磺啶 is C22H20N4O8S2.
What is the molecular weight of 头孢磺啶?
The molecular weight of 头孢磺啶 is 532.07 g/mol.
Where can I buy 头孢磺啶?
You can request a quote for 头孢磺啶 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 头孢磺啶?
Yes, KEHONG BIO provides custom synthesis services for 头孢磺啶 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.