头孢达肟
TL;DR: 头孢达肟 (CAS 80195-36-4) is a chemical compound with molecular formula C14H15N5O6S2 and molecular weight 413.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
头孢达肟
(6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Cefdaloxime, (6R,7R)-7-[[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C14H15N5O6S2 |
|---|---|
| Molecular Weight | 413.05 g/mol |
| LogP | -0.7114 |
| Topological Polar Surface Area | 167.44 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.0464 |
| Heavy Atoms | 27 |
| Complexity | 865.93427 |
Chemical Identifiers
| CAS Number | 80195-36-4 |
|---|---|
| SMILES | COCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N/O)/C3=CSC(=N3)N)SC1)C(=O)O |
Product Overview
头孢达肟 (CAS 80195-36-4), with molecular formula C14H15N5O6S2 and molecular weight 413.05 g/mol. IUPAC: (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of 头孢达肟
Property Insights of 头孢达肟
The XLogP value of -0.7114 indicates that 头孢达肟 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 167.44 Ų indicates high polarity, suggesting 头孢达肟 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 头孢达肟 has 4 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 头孢达肟?
The CAS number of 头孢达肟 is 80195-36-4.
What is the molecular formula of 头孢达肟?
The molecular formula of 头孢达肟 is C14H15N5O6S2.
What is the molecular weight of 头孢达肟?
The molecular weight of 头孢达肟 is 413.05 g/mol.
Where can I buy 头孢达肟?
You can request a quote for 头孢达肟 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 头孢达肟?
Yes, KEHONG BIO provides custom synthesis services for 头孢达肟 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.