A3181/0134714
TL;DR: A3181/0134714 (CAS 540498-34-8) is a chemical compound with molecular formula C21H21Cl2N5OS and molecular weight 461.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(3,4-dichloroanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide
Also Known As: A3181/0134714, 2-((4-Allyl-5-(((3,4-dichlorophenyl)amino)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide, 2-({4-allyl-5-[(3,4-dichloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methylphenyl)acetamide, 2-[(4-ALLYL-5-{[(3,4-DICHLOROPHENYL)AMINO]METHYL}-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(3-METHYLPHENYL)ACETAMIDE, 2-((4-ALLYL-5-((3,4-DICHLOROANILINO)METHYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-(3-METHYLPHENYL)ACETAMIDE
| Molecular Formula | C21H21Cl2N5OS |
|---|---|
| Molecular Weight | 461.08 g/mol |
| LogP | 5.42222 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 461.08438 |
| Heavy Atoms | 30 |
| Complexity | 1053.626 |
Chemical Identifiers
| CAS Number | 540498-34-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)CNC3=CC(=C(C=C3)Cl)Cl |
Product Overview
A3181/0134714 (CAS 540498-34-8), with molecular formula C21H21Cl2N5OS and molecular weight 461.08 g/mol. IUPAC: 2-[[5-[(3,4-dichloroanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide.
Chemical Property Profile of A3181/0134714
Property Insights of A3181/0134714
The XLogP value of 5.42222 indicates that A3181/0134714 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.84 Ų falls within the moderate polarity range, balancing permeability and solubility for A3181/0134714. Following Lipinski's Rule of Five, A3181/0134714 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3181/0134714?
The CAS number of A3181/0134714 is 540498-34-8.
What is the molecular formula of A3181/0134714?
The molecular formula of A3181/0134714 is C21H21Cl2N5OS.
What is the molecular weight of A3181/0134714?
The molecular weight of A3181/0134714 is 461.08 g/mol.
Where can I buy A3181/0134714?
You can request a quote for A3181/0134714 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3181/0134714?
Yes, KEHONG BIO provides custom synthesis services for A3181/0134714 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.