C15H21ClN2S
TL;DR: C15H21ClN2S (CAS 71166-97-7) is a chemical compound with molecular formula C15H21ClN2S and molecular weight 296.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butylsulfanyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole;hydrochloride
Also Known As: 2-(tert-butylthio)-6,7,8,9-tetrahydrobenzo[4,5]imidazo[1,2-a]pyridine hydrochloride, 2-tert-Butylsulfanyl-6,7,8,9-tetrahydro-benzo[4,5]imidazo[1,2-a]pyridine, 2-(tert-Butylthio)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole hydrochloride
| Molecular Formula | C15H21ClN2S |
|---|---|
| Molecular Weight | 296.11 g/mol |
| LogP | 4.5255 |
| Topological Polar Surface Area | 17.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 296.1114 |
| Heavy Atoms | 19 |
| Complexity | 583.5785 |
Chemical Identifiers
| CAS Number | 71166-97-7 |
|---|---|
| SMILES | CC(C)(C)SC1=CN2C3=C(CCCC3)N=C2C=C1.Cl |
Product Overview
C15H21ClN2S (CAS 71166-97-7), with molecular formula C15H21ClN2S and molecular weight 296.11 g/mol. IUPAC: 2-tert-butylsulfanyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole;hydrochloride.
Chemical Property Profile of C15H21ClN2S
Property Insights of C15H21ClN2S
The XLogP value of 4.5255 indicates that C15H21ClN2S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.3 Ų, C15H21ClN2S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C15H21ClN2S has 0 hydrogen bond donor(s) and 2 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 C15H21ClN2S?
The CAS number of C15H21ClN2S is 71166-97-7.
What is the molecular formula of C15H21ClN2S?
The molecular formula of C15H21ClN2S is C15H21ClN2S.
What is the molecular weight of C15H21ClN2S?
The molecular weight of C15H21ClN2S is 296.11 g/mol.
Where can I buy C15H21ClN2S?
You can request a quote for C15H21ClN2S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C15H21ClN2S?
Yes, KEHONG BIO provides custom synthesis services for C15H21ClN2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.