AB00681214-01
TL;DR: AB00681214-01 (CAS 886953-96-4) is a chemical compound with molecular formula C16H19N5O4S and molecular weight 377.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-amino-3-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-5-oxo-1,2,4-triazin-6-yl]propanoic acid
Also Known As: AB00681214-01, F2712-0091, 3-[4-amino-3-({[(2,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]propanoic acid, 3-(4-amino-3-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid, 3-[4-amino-3-({2-[(2,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]propanoic acid
| Molecular Formula | C16H19N5O4S |
|---|---|
| Molecular Weight | 377.12 g/mol |
| LogP | 0.71694 |
| Topological Polar Surface Area | 140.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 377.11578 |
| Heavy Atoms | 26 |
| Complexity | 896.6942 |
Chemical Identifiers
| CAS Number | 886953-96-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C(C(=O)N2N)CCC(=O)O |
Product Overview
AB00681214-01 (CAS 886953-96-4), with molecular formula C16H19N5O4S and molecular weight 377.12 g/mol. IUPAC: 3-[4-amino-3-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-5-oxo-1,2,4-triazin-6-yl]propanoic acid.
Chemical Property Profile of AB00681214-01
Property Insights of AB00681214-01
The XLogP value of 0.71694 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00681214-01. The TPSA of 140.2 Ų indicates high polarity, suggesting AB00681214-01 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AB00681214-01 has 3 hydrogen bond donor(s) and 7 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 AB00681214-01?
The CAS number of AB00681214-01 is 886953-96-4.
What is the molecular formula of AB00681214-01?
The molecular formula of AB00681214-01 is C16H19N5O4S.
What is the molecular weight of AB00681214-01?
The molecular weight of AB00681214-01 is 377.12 g/mol.
Where can I buy AB00681214-01?
You can request a quote for AB00681214-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00681214-01?
Yes, KEHONG BIO provides custom synthesis services for AB00681214-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.