6-chloro-3-(4-phenylbutan-2-yl)-3a,7a-dihydro-1H-benzimidazole-2-thione
TL;DR: 6-chloro-3-(4-phenylbutan-2-yl)-3a,7a-dihydro-1H-benzimidazole-2-thione (CAS 486997-47-1) is a chemical compound with molecular formula C17H19ClN2S and molecular weight 318.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3-(4-phenylbutan-2-yl)-3a,7a-dihydro-1H-benzimidazole-2-thione
Also Known As: AH-487/41280519, 6-chloro-3-(4-phenylbutan-2-yl)-3a,7a-dihydro-1H-benzimidazole-2-thione, 5-chloro-1-(1-methyl-3-phenylpropyl)-3a,7a-dihydro-1H-benzimidazole-2-thiol, 5-Chloro-1-(4-phenylbutan-2-yl)-3a,7a-dihydro-1H-benzo[d]imidazole-2-thiol, 6-chloro-3-(1-methyl-3-phenylpropyl)-3,3a,7a-trihydrobenzimidazole-2-thiol
| Molecular Formula | C17H19ClN2S |
|---|---|
| Molecular Weight | 318.10 g/mol |
| LogP | 3.6275 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.09573 |
| Heavy Atoms | 21 |
| Complexity | 581.7127 |
Chemical Identifiers
| CAS Number | 486997-47-1 |
|---|---|
| SMILES | CC(CCC1=CC=CC=C1)N2C3C=CC(=CC3NC2=S)Cl |
Product Overview
6-chloro-3-(4-phenylbutan-2-yl)-3a,7a-dihydro-1H-benzimidazole-2-thione (CAS 486997-47-1), with molecular formula C17H19ClN2S and molecular weight 318.10 g/mol. IUPAC: 6-chloro-3-(4-phenylbutan-2-yl)-3a,7a-dihydro-1H-benzimidazole-2-thione.
Chemical Property Profile of 6-chloro-3-(4-phenylbutan-2-yl)-3a,7a-dihydro-1H-benzimidazole-2-thione
Property Insights of 6-chloro-3-(4-phenylbutan-2-yl)-3a,7a-dihydro-1H-benzimidazole-2-thione
The XLogP value of 3.6275 indicates that 6-chloro-3-(4-phenylbutan-2-yl)-3a,7a-dihydro-1H-benzimidazole-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.27 Ų, 6-chloro-3-(4-phenylbutan-2-yl)-3a,7a-dihydro-1H-benzimidazole-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-chloro-3-(4-phenylbutan-2-yl)-3a,7a-dihydro-1H-benzimidazole-2-thione has 1 hydrogen bond donor(s) and 1 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 6-chloro-3-(4-phenylbutan-2-yl)-3a,7a-dihydro-1H-benzimidazole-2-thione?
The CAS number of 6-chloro-3-(4-phenylbutan-2-yl)-3a,7a-dihydro-1H-benzimidazole-2-thione is 486997-47-1.
What is the molecular formula of 6-chloro-3-(4-phenylbutan-2-yl)-3a,7a-dihydro-1H-benzimidazole-2-thione?
The molecular formula of 6-chloro-3-(4-phenylbutan-2-yl)-3a,7a-dihydro-1H-benzimidazole-2-thione is C17H19ClN2S.
What is the molecular weight of 6-chloro-3-(4-phenylbutan-2-yl)-3a,7a-dihydro-1H-benzimidazole-2-thione?
The molecular weight of 6-chloro-3-(4-phenylbutan-2-yl)-3a,7a-dihydro-1H-benzimidazole-2-thione is 318.10 g/mol.
Where can I buy 6-chloro-3-(4-phenylbutan-2-yl)-3a,7a-dihydro-1H-benzimidazole-2-thione?
You can request a quote for 6-chloro-3-(4-phenylbutan-2-yl)-3a,7a-dihydro-1H-benzimidazole-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-chloro-3-(4-phenylbutan-2-yl)-3a,7a-dihydro-1H-benzimidazole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-3-(4-phenylbutan-2-yl)-3a,7a-dihydro-1H-benzimidazole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.