AB00727691-01
TL;DR: AB00727691-01 (CAS 785818-63-5) is a chemical compound with molecular formula C17H15Cl2N3OS and molecular weight 379.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenoxy)methyl]-5-[(3-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole
Also Known As: AB00727691-01, 3-[(3-chlorobenzyl)sulfanyl]-5-[(4-chlorophenoxy)methyl]-4-methyl-4H-1,2,4-triazole, 3-[(4-chlorophenoxy)methyl]-5-[(3-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole, 4-chloro-1-({5-[(3-chlorophenyl)methylthio]-4-methyl(1,2,4-triazol-3-yl)}metho xy)benzene
| Molecular Formula | C17H15Cl2N3OS |
|---|---|
| Molecular Weight | 379.03 g/mol |
| LogP | 4.9932 |
| Topological Polar Surface Area | 39.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.03128 |
| Heavy Atoms | 24 |
| Complexity | 820.9579 |
Chemical Identifiers
| CAS Number | 785818-63-5 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=CC(=CC=C2)Cl)COC3=CC=C(C=C3)Cl |
Product Overview
AB00727691-01 (CAS 785818-63-5), with molecular formula C17H15Cl2N3OS and molecular weight 379.03 g/mol. IUPAC: 3-[(4-chlorophenoxy)methyl]-5-[(3-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole.
Chemical Property Profile of AB00727691-01
Property Insights of AB00727691-01
The XLogP value of 4.9932 indicates that AB00727691-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.94 Ų, AB00727691-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00727691-01 has 0 hydrogen bond donor(s) and 4 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 AB00727691-01?
The CAS number of AB00727691-01 is 785818-63-5.
What is the molecular formula of AB00727691-01?
The molecular formula of AB00727691-01 is C17H15Cl2N3OS.
What is the molecular weight of AB00727691-01?
The molecular weight of AB00727691-01 is 379.03 g/mol.
Where can I buy AB00727691-01?
You can request a quote for AB00727691-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00727691-01?
Yes, KEHONG BIO provides custom synthesis services for AB00727691-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.