AN-465/41995542
TL;DR: AN-465/41995542 (CAS 5548-15-2) is a chemical compound with molecular formula C24H31N3OS and molecular weight 409.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazole
Also Known As: AN-465/41995542, 3-[(4-tert-butyl-2,6-dimethylbenzyl)sulfanyl]-4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole, 3-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazole, {5-[(4-tert-butyl-2,6-dimethylbenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl 2-methylphenyl ether, 3-{[(4-TERT-BUTYL-2,6-DIMETHYLPHENYL)METHYL]SULFANYL}-4-METHYL-5-(2-METHYLPHENOXYMETHYL)-1,2,4-TRIAZOLE
| Molecular Formula | C24H31N3OS |
|---|---|
| Molecular Weight | 409.22 g/mol |
| LogP | 5.90916 |
| Topological Polar Surface Area | 39.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.21878 |
| Heavy Atoms | 29 |
| Complexity | 978.59576 |
Chemical Identifiers
| CAS Number | 5548-15-2 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC2=NN=C(N2C)SCC3=C(C=C(C=C3C)C(C)(C)C)C |
Product Overview
AN-465/41995542 (CAS 5548-15-2), with molecular formula C24H31N3OS and molecular weight 409.22 g/mol. IUPAC: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazole.
Chemical Property Profile of AN-465/41995542
Property Insights of AN-465/41995542
The XLogP value of 5.90916 indicates that AN-465/41995542 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.94 Ų, AN-465/41995542 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-465/41995542 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-465/41995542?
The CAS number of AN-465/41995542 is 5548-15-2.
What is the molecular formula of AN-465/41995542?
The molecular formula of AN-465/41995542 is C24H31N3OS.
What is the molecular weight of AN-465/41995542?
The molecular weight of AN-465/41995542 is 409.22 g/mol.
Where can I buy AN-465/41995542?
You can request a quote for AN-465/41995542 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-465/41995542?
Yes, KEHONG BIO provides custom synthesis services for AN-465/41995542 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.