A1806/0076324
TL;DR: A1806/0076324 (CAS 312288-61-2) is a chemical compound with molecular formula C26H27N3S and molecular weight 413.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)-4-methyl-5-[(4-phenylphenyl)methylsulfanyl]-1,2,4-triazole
Also Known As: A1806/0076324, [1,1'-biphenyl]-4-ylmethyl 5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl sulfide, 3-(4-tert-butylphenyl)-4-methyl-5-[(4-phenylphenyl)methylsulfanyl]-1,2,4-triazole, 3-[(biphenyl-4-ylmethyl)sulfanyl]-5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazole, 3-(([1,1'-biphenyl]-4-ylmethyl)thio)-5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazole
| Molecular Formula | C26H27N3S |
|---|---|
| Molecular Weight | 413.19 g/mol |
| LogP | 6.7389 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.19257 |
| Heavy Atoms | 30 |
| Complexity | 1105.9149 |
Chemical Identifiers
| CAS Number | 312288-61-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC=C(C=C3)C4=CC=CC=C4 |
Product Overview
A1806/0076324 (CAS 312288-61-2), with molecular formula C26H27N3S and molecular weight 413.19 g/mol. IUPAC: 3-(4-tert-butylphenyl)-4-methyl-5-[(4-phenylphenyl)methylsulfanyl]-1,2,4-triazole.
Chemical Property Profile of A1806/0076324
Property Insights of A1806/0076324
The XLogP value of 6.7389 indicates that A1806/0076324 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, A1806/0076324 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A1806/0076324 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1806/0076324?
The CAS number of A1806/0076324 is 312288-61-2.
What is the molecular formula of A1806/0076324?
The molecular formula of A1806/0076324 is C26H27N3S.
What is the molecular weight of A1806/0076324?
The molecular weight of A1806/0076324 is 413.19 g/mol.
Where can I buy A1806/0076324?
You can request a quote for A1806/0076324 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1806/0076324?
Yes, KEHONG BIO provides custom synthesis services for A1806/0076324 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.