头孢泊肟匹酯
TL;DR: 头孢泊肟匹酯 (CAS 87239-81-4) is a chemical compound with molecular formula C21H27N5O9S2 and molecular weight 557.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
头孢泊肟匹酯
1-propan-2-yloxycarbonyloxyethyl 7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: Vantin, cefpodoxime proxetil, Simplicef, Banan, Doxef
| Molecular Formula | C21H27N5O9S2 |
|---|---|
| Molecular Weight | 557.12 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 235.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 13 |
| Exact Mass | 557.125 |
| Heavy Atoms | 37 |
| Complexity | 976.0 |
Chemical Identifiers
| CAS Number | 87239-81-4 |
|---|---|
| SMILES | CC(C)OC(=O)OC(C)OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)C(=NOC)C3=CSC(=N3)N)COC |
| InChIKey | LTINZAODLRIQIX-UHFFFAOYSA-N |
Product Overview
头孢泊肟匹酯 (CAS 87239-81-4), with molecular formula C21H27N5O9S2 and molecular weight 557.12 g/mol. IUPAC: 1-propan-2-yloxycarbonyloxyethyl 7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.
Chemical Property Profile of 头孢泊肟匹酯
Property Insights of 头孢泊肟匹酯
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 头孢泊肟匹酯. The TPSA of 235.0 Ų indicates high polarity, suggesting 头孢泊肟匹酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 头孢泊肟匹酯 has 2 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 头孢泊肟匹酯?
The CAS number of 头孢泊肟匹酯 is 87239-81-4.
What is the molecular formula of 头孢泊肟匹酯?
The molecular formula of 头孢泊肟匹酯 is C21H27N5O9S2.
What is the molecular weight of 头孢泊肟匹酯?
The molecular weight of 头孢泊肟匹酯 is 557.12 g/mol.
Where can I buy 头孢泊肟匹酯?
You can request a quote for 头孢泊肟匹酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 头孢泊肟匹酯?
Yes, KEHONG BIO provides custom synthesis services for 头孢泊肟匹酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.