头孢曲秦(立体化学未定义)
TL;DR: 头孢曲秦(立体化学未定义) (CAS 51627-14-6) is a chemical compound with molecular formula C18H18N6O5S2 and molecular weight 462.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
头孢曲秦(立体化学未定义)
7-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-(2H-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: CEFATRIZINE, Cephatriazine, Cefatrizino, Cefatrizinum, Orosporina
| Molecular Formula | C18H18N6O5S2 |
|---|---|
| Molecular Weight | 462.08 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 225.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 462.078 |
| Heavy Atoms | 31 |
| Complexity | 775.0 |
Chemical Identifiers
| CAS Number | 51627-14-6 |
|---|---|
| SMILES | C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)CSC4=NNN=C4 |
| InChIKey | UOCJDOLVGGIYIQ-UHFFFAOYSA-N |
Product Overview
头孢曲秦(立体化学未定义) (CAS 51627-14-6), with molecular formula C18H18N6O5S2 and molecular weight 462.08 g/mol. IUPAC: 7-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-(2H-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of 头孢曲秦(立体化学未定义)
Property Insights of 头孢曲秦(立体化学未定义)
The XLogP value of -2.3 indicates that 头孢曲秦(立体化学未定义) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 225.0 Ų indicates high polarity, suggesting 头孢曲秦(立体化学未定义) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 头孢曲秦(立体化学未定义) has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 头孢曲秦(立体化学未定义)?
The CAS number of 头孢曲秦(立体化学未定义) is 51627-14-6.
What is the molecular formula of 头孢曲秦(立体化学未定义)?
The molecular formula of 头孢曲秦(立体化学未定义) is C18H18N6O5S2.
What is the molecular weight of 头孢曲秦(立体化学未定义)?
The molecular weight of 头孢曲秦(立体化学未定义) is 462.08 g/mol.
Where can I buy 头孢曲秦(立体化学未定义)?
You can request a quote for 头孢曲秦(立体化学未定义) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 头孢曲秦(立体化学未定义)?
Yes, KEHONG BIO provides custom synthesis services for 头孢曲秦(立体化学未定义) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.