AB00772164-01
TL;DR: AB00772164-01 (CAS 849142-58-1) is a chemical compound with molecular formula C16H17N3OS and molecular weight 299.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-(2-methylfuran-3-yl)-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole
Also Known As: AB00772164-01, 4-methyl-3-(2-methylfuran-3-yl)-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole, 4-methyl-3-(2-methyl(3-furyl))-5-[(4-methylphenyl)methylthio]-1,2,4-triazole, 4-METHYL-3-[(4-METHYLBENZYL)SULFANYL]-5-(2-METHYL-3-FURYL)-4H-1,2,4-TRIAZOLE, 4-methyl-3-[(4-methylbenzyl)sulfanyl]-5-(2-methylfuran-3-yl)-4H-1,2,4-triazole
| Molecular Formula | C16H17N3OS |
|---|---|
| Molecular Weight | 299.11 g/mol |
| LogP | 3.98424 |
| Topological Polar Surface Area | 43.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.10922 |
| Heavy Atoms | 21 |
| Complexity | 743.2303 |
Chemical Identifiers
| CAS Number | 849142-58-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NN=C(N2C)C3=C(OC=C3)C |
Product Overview
AB00772164-01 (CAS 849142-58-1), with molecular formula C16H17N3OS and molecular weight 299.11 g/mol. IUPAC: 4-methyl-3-(2-methylfuran-3-yl)-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole.
Chemical Property Profile of AB00772164-01
Property Insights of AB00772164-01
The XLogP value of 3.98424 indicates that AB00772164-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.85 Ų, AB00772164-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00772164-01 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 AB00772164-01?
The CAS number of AB00772164-01 is 849142-58-1.
What is the molecular formula of AB00772164-01?
The molecular formula of AB00772164-01 is C16H17N3OS.
What is the molecular weight of AB00772164-01?
The molecular weight of AB00772164-01 is 299.11 g/mol.
Where can I buy AB00772164-01?
You can request a quote for AB00772164-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00772164-01?
Yes, KEHONG BIO provides custom synthesis services for AB00772164-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.