7-Amino-3-(1,2,3-triazol-4-ylthio)methyl Cephalosporanic Acid(7-TACA)
TL;DR: 7-Amino-3-(1,2,3-triazol-4-ylthio)methyl Cephalosporanic Acid(7-TACA) (CAS 37539-03-0) is a chemical compound with molecular formula C10H11N5O3S2 and molecular weight 313.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7R)-7-amino-8-oxo-3-(2H-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: 7-Amino-3-(1,2,3-triazol-4-ylthio)methyl Cephalosporanic Acid(7-TACA), (7R)-7-amino-8-oxo-3-(2H-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C10H11N5O3S2 |
|---|---|
| Molecular Weight | 313.03 g/mol |
| LogP | -3.5 |
| Topological Polar Surface Area | 176.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.03033 |
| Heavy Atoms | 20 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 37539-03-0 |
|---|---|
| SMILES | C1C(=C(N2C(S1)[C@@H](C2=O)N)C(=O)O)CSC3=NNN=C3 |
| InChIKey | MLOZJRLUNNFSGD-VJSCVCEBSA-N |
Product Overview
7-Amino-3-(1,2,3-triazol-4-ylthio)methyl Cephalosporanic Acid(7-TACA) (CAS 37539-03-0), with molecular formula C10H11N5O3S2 and molecular weight 313.03 g/mol. IUPAC: (7R)-7-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 7-Amino-3-(1,2,3-triazol-4-ylthio)methyl Cephalosporanic Acid(7-TACA)
Property Insights of 7-Amino-3-(1,2,3-triazol-4-ylthio)methyl Cephalosporanic Acid(7-TACA)
The XLogP value of -3.5 indicates that 7-Amino-3-(1,2,3-triazol-4-ylthio)methyl Cephalosporanic Acid(7-TACA) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 176.0 Ų indicates high polarity, suggesting 7-Amino-3-(1,2,3-triazol-4-ylthio)methyl Cephalosporanic Acid(7-TACA) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-Amino-3-(1,2,3-triazol-4-ylthio)methyl Cephalosporanic Acid(7-TACA) has 3 hydrogen bond donor(s) and 8 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 7-Amino-3-(1,2,3-triazol-4-ylthio)methyl Cephalosporanic Acid(7-TACA)?
The CAS number of 7-Amino-3-(1,2,3-triazol-4-ylthio)methyl Cephalosporanic Acid(7-TACA) is 37539-03-0.
What is the molecular formula of 7-Amino-3-(1,2,3-triazol-4-ylthio)methyl Cephalosporanic Acid(7-TACA)?
The molecular formula of 7-Amino-3-(1,2,3-triazol-4-ylthio)methyl Cephalosporanic Acid(7-TACA) is C10H11N5O3S2.
What is the molecular weight of 7-Amino-3-(1,2,3-triazol-4-ylthio)methyl Cephalosporanic Acid(7-TACA)?
The molecular weight of 7-Amino-3-(1,2,3-triazol-4-ylthio)methyl Cephalosporanic Acid(7-TACA) is 313.03 g/mol.
Where can I buy 7-Amino-3-(1,2,3-triazol-4-ylthio)methyl Cephalosporanic Acid(7-TACA)?
You can request a quote for 7-Amino-3-(1,2,3-triazol-4-ylthio)methyl Cephalosporanic Acid(7-TACA) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Amino-3-(1,2,3-triazol-4-ylthio)methyl Cephalosporanic Acid(7-TACA)?
Yes, KEHONG BIO provides custom synthesis services for 7-Amino-3-(1,2,3-triazol-4-ylthio)methyl Cephalosporanic Acid(7-TACA) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.