头孢布宗
TL;DR: 头孢布宗 (CAS 76610-84-9) is a chemical compound with molecular formula C22H29N9O9S2 and molecular weight 627.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
头孢布宗
7-[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-3-hydroxybutanoyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Cefbuperzaone, CEFBUPERAZONE, I14-0800, 7-[[2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]-3-hydroxy-butanoyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-3-hydroxybutanoyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C22H29N9O9S2 |
|---|---|
| Molecular Weight | 627.15 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 280.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 627.15295 |
| Heavy Atoms | 42 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 76610-84-9 |
|---|---|
| SMILES | CCN1CCN(C(=O)C1=O)C(=O)NC(C(C)O)C(=O)NC2(C3N(C2=O)C(=C(CS3)CSC4=NN=NN4C)C(=O)O)OC |
| InChIKey | SMSRCGPDNDCXFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
头孢布宗 (CAS 76610-84-9), with molecular formula C22H29N9O9S2 and molecular weight 627.15 g/mol. IUPAC: 7-[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-3-hydroxybutanoyl]amino]-7-methoxy-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 头孢布宗
Property Insights of 头孢布宗
The XLogP value of -1.0 indicates that 头孢布宗 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 280.0 Ų indicates high polarity, suggesting 头孢布宗 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 头孢布宗 has 4 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 头孢布宗?
The CAS number of 头孢布宗 is 76610-84-9.
What is the molecular formula of 头孢布宗?
The molecular formula of 头孢布宗 is C22H29N9O9S2.
What is the molecular weight of 头孢布宗?
The molecular weight of 头孢布宗 is 627.15 g/mol.
Where can I buy 头孢布宗?
You can request a quote for 头孢布宗 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 头孢布宗?
Yes, KEHONG BIO provides custom synthesis services for 头孢布宗 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.