1-Benzyl-3-tert-butyl-4-(2-methylphenyl)-3-(propan-2-yl)azetidine-2-thione
TL;DR: 1-Benzyl-3-tert-butyl-4-(2-methylphenyl)-3-(propan-2-yl)azetidine-2-thione (CAS 59631-30-0) is a chemical compound with molecular formula C24H31NS and molecular weight 365.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-tert-butyl-4-(2-methylphenyl)-3-propan-2-ylazetidine-2-thione
Also Known As: 1-Benzyl-3-tert-butyl-4-(2-methylphenyl)-3-(propan-2-yl)azetidine-2-thione, 1-benzyl-3-tert-butyl-4-(2-methylphenyl)-3-propan-2-ylazetid, 1-benzyl-3-tert-butyl-4-(2-methylphenyl)-3-propan-2-ylazetidine-2-thione
| Molecular Formula | C24H31NS |
|---|---|
| Molecular Weight | 365.22 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 365.2177 |
| Heavy Atoms | 26 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 59631-30-0 |
|---|---|
| SMILES | CC1=CC=CC=C1C2C(C(=S)N2CC3=CC=CC=C3)(C(C)C)C(C)(C)C |
| InChIKey | KLTCNFQRIGHDIR-UHFFFAOYSA-N |
Product Overview
1-Benzyl-3-tert-butyl-4-(2-methylphenyl)-3-(propan-2-yl)azetidine-2-thione (CAS 59631-30-0), with molecular formula C24H31NS and molecular weight 365.22 g/mol. IUPAC: 1-benzyl-3-tert-butyl-4-(2-methylphenyl)-3-propan-2-ylazetidine-2-thione.
Chemical Property Profile of 1-Benzyl-3-tert-butyl-4-(2-methylphenyl)-3-(propan-2-yl)azetidine-2-thione
Property Insights of 1-Benzyl-3-tert-butyl-4-(2-methylphenyl)-3-(propan-2-yl)azetidine-2-thione
The XLogP value of 6.3 indicates that 1-Benzyl-3-tert-butyl-4-(2-methylphenyl)-3-(propan-2-yl)azetidine-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.3 Ų, 1-Benzyl-3-tert-butyl-4-(2-methylphenyl)-3-(propan-2-yl)azetidine-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-3-tert-butyl-4-(2-methylphenyl)-3-(propan-2-yl)azetidine-2-thione has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Benzyl-3-tert-butyl-4-(2-methylphenyl)-3-(propan-2-yl)azetidine-2-thione?
The CAS number of 1-Benzyl-3-tert-butyl-4-(2-methylphenyl)-3-(propan-2-yl)azetidine-2-thione is 59631-30-0.
What is the molecular formula of 1-Benzyl-3-tert-butyl-4-(2-methylphenyl)-3-(propan-2-yl)azetidine-2-thione?
The molecular formula of 1-Benzyl-3-tert-butyl-4-(2-methylphenyl)-3-(propan-2-yl)azetidine-2-thione is C24H31NS.
What is the molecular weight of 1-Benzyl-3-tert-butyl-4-(2-methylphenyl)-3-(propan-2-yl)azetidine-2-thione?
The molecular weight of 1-Benzyl-3-tert-butyl-4-(2-methylphenyl)-3-(propan-2-yl)azetidine-2-thione is 365.22 g/mol.
Where can I buy 1-Benzyl-3-tert-butyl-4-(2-methylphenyl)-3-(propan-2-yl)azetidine-2-thione?
You can request a quote for 1-Benzyl-3-tert-butyl-4-(2-methylphenyl)-3-(propan-2-yl)azetidine-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-3-tert-butyl-4-(2-methylphenyl)-3-(propan-2-yl)azetidine-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-3-tert-butyl-4-(2-methylphenyl)-3-(propan-2-yl)azetidine-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.