F2712-0070
TL;DR: F2712-0070 (CAS 896170-40-4) is a chemical compound with molecular formula C15H16ClN5O4S and molecular weight 397.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-amino-3-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-5-oxo-1,2,4-triazin-6-yl]propanoic acid
Also Known As: F2712-0070, 3-[4-amino-3-({[(3-chloro-2-methylphenyl)carbamoyl]methyl}sulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]propanoic acid, 3-[4-amino-3-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-5-oxo-1,2,4-triazin-6-yl]propanoic acid, 3-[4-amino-3-({2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]propanoic acid, 3-(4-amino-3-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)thio)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid
| Molecular Formula | C15H16ClN5O4S |
|---|---|
| Molecular Weight | 397.06 g/mol |
| LogP | 1.06192 |
| Topological Polar Surface Area | 140.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 397.06116 |
| Heavy Atoms | 26 |
| Complexity | 902.0909 |
Chemical Identifiers
| CAS Number | 896170-40-4 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(C(=O)N2N)CCC(=O)O |
Product Overview
F2712-0070 (CAS 896170-40-4), with molecular formula C15H16ClN5O4S and molecular weight 397.06 g/mol. IUPAC: 3-[4-amino-3-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-5-oxo-1,2,4-triazin-6-yl]propanoic acid.
Chemical Property Profile of F2712-0070
Property Insights of F2712-0070
The XLogP value of 1.06192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F2712-0070. The TPSA of 140.2 Ų indicates high polarity, suggesting F2712-0070 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F2712-0070 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 F2712-0070?
The CAS number of F2712-0070 is 896170-40-4.
What is the molecular formula of F2712-0070?
The molecular formula of F2712-0070 is C15H16ClN5O4S.
What is the molecular weight of F2712-0070?
The molecular weight of F2712-0070 is 397.06 g/mol.
Where can I buy F2712-0070?
You can request a quote for F2712-0070 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2712-0070?
Yes, KEHONG BIO provides custom synthesis services for F2712-0070 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.