头孢匹罗
TL;DR: 头孢匹罗 (CAS 84957-29-9) is a chemical compound with molecular formula C22H23N6O5S2+ and molecular weight 515.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
头孢匹罗
(6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: 1-{[(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}-5H,6H,7H-cyclopenta[b]pyridin-1-ium
| Molecular Formula | C22H23N6O5S2+ |
|---|---|
| Molecular Weight | 515.12 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 205.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 515.1171 |
| Heavy Atoms | 35 |
| Complexity | 961.0 |
Chemical Identifiers
| CAS Number | 84957-29-9 |
|---|---|
| SMILES | CON=C(C1=CSC(=N1)N)C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4CCC5)C(=O)O |
| InChIKey | DKOQGJHPHLTOJR-OXQOHEQNSA-O |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
头孢匹罗 (CAS 84957-29-9), with molecular formula C22H23N6O5S2+ and molecular weight 515.12 g/mol. IUPAC: (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of 头孢匹罗
Property Insights of 头孢匹罗
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 头孢匹罗. The TPSA of 205.0 Ų indicates high polarity, suggesting 头孢匹罗 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 头孢匹罗 has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 头孢匹罗?
The CAS number of 头孢匹罗 is 84957-29-9.
What is the molecular formula of 头孢匹罗?
The molecular formula of 头孢匹罗 is C22H23N6O5S2+.
What is the molecular weight of 头孢匹罗?
The molecular weight of 头孢匹罗 is 515.12 g/mol.
Where can I buy 头孢匹罗?
You can request a quote for 头孢匹罗 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 头孢匹罗?
Yes, KEHONG BIO provides custom synthesis services for 头孢匹罗 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.