F2712-0080
TL;DR: F2712-0080 (CAS 886953-66-8) is a chemical compound with molecular formula C14H14ClN5O4S and molecular weight 383.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-amino-3-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-5-oxo-1,2,4-triazin-6-yl]propanoic acid
Also Known As: F2712-0080, 3-[4-amino-3-({[(2-chlorophenyl)carbamoyl]methyl}sulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]propanoic acid, 3-(4-amino-3-((2-((2-chlorophenyl)amino)-2-oxoethyl)thio)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid, 3-[4-amino-3-[(2-chlorophenyl)carbamoylmethylsulfanyl]-5-oxo-1,2,4-triazin-6-yl]propanoic Acid, 3-[4-amino-3-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-5-oxo-1,2,4-triazin-6-yl]propanoic acid
| Molecular Formula | C14H14ClN5O4S |
|---|---|
| Molecular Weight | 383.05 g/mol |
| LogP | 0.7535 |
| Topological Polar Surface Area | 140.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 383.0455 |
| Heavy Atoms | 25 |
| Complexity | 857.356 |
Chemical Identifiers
| CAS Number | 886953-66-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=O)CSC2=NN=C(C(=O)N2N)CCC(=O)O)Cl |
Product Overview
F2712-0080 (CAS 886953-66-8), with molecular formula C14H14ClN5O4S and molecular weight 383.05 g/mol. IUPAC: 3-[4-amino-3-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-5-oxo-1,2,4-triazin-6-yl]propanoic acid.
Chemical Property Profile of F2712-0080
Property Insights of F2712-0080
The XLogP value of 0.7535 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F2712-0080. The TPSA of 140.2 Ų indicates high polarity, suggesting F2712-0080 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F2712-0080 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 F2712-0080?
The CAS number of F2712-0080 is 886953-66-8.
What is the molecular formula of F2712-0080?
The molecular formula of F2712-0080 is C14H14ClN5O4S.
What is the molecular weight of F2712-0080?
The molecular weight of F2712-0080 is 383.05 g/mol.
Where can I buy F2712-0080?
You can request a quote for F2712-0080 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2712-0080?
Yes, KEHONG BIO provides custom synthesis services for F2712-0080 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.