F1252-0144
TL;DR: F1252-0144 (CAS 442669-27-4) is a chemical compound with molecular formula C25H22ClN5O3S and molecular weight 507.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[[5-[(4-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: F1252-0144, A2841/0119868, methyl 4-{2-[(5-{[(4-chlorophenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate, methyl 4-(2-((5-(((4-chlorophenyl)amino)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, methyl 4-[[2-[[5-[(4-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C25H22ClN5O3S |
|---|---|
| Molecular Weight | 507.11 g/mol |
| LogP | 5.0502 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 507.1132 |
| Heavy Atoms | 35 |
| Complexity | 1295.1991 |
Chemical Identifiers
| CAS Number | 442669-27-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC4=CC=C(C=C4)Cl |
Product Overview
F1252-0144 (CAS 442669-27-4), with molecular formula C25H22ClN5O3S and molecular weight 507.11 g/mol. IUPAC: methyl 4-[[2-[[5-[(4-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of F1252-0144
Property Insights of F1252-0144
The XLogP value of 5.0502 indicates that F1252-0144 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.14 Ų falls within the moderate polarity range, balancing permeability and solubility for F1252-0144. Following Lipinski's Rule of Five, F1252-0144 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1252-0144?
The CAS number of F1252-0144 is 442669-27-4.
What is the molecular formula of F1252-0144?
The molecular formula of F1252-0144 is C25H22ClN5O3S.
What is the molecular weight of F1252-0144?
The molecular weight of F1252-0144 is 507.11 g/mol.
Where can I buy F1252-0144?
You can request a quote for F1252-0144 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1252-0144?
Yes, KEHONG BIO provides custom synthesis services for F1252-0144 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.