RefChem:1087282
TL;DR: RefChem:1087282 (CAS 61-29-0) is a chemical compound with molecular formula C17H26ClNO2 and molecular weight 311.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-6,7-dimethoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole;hydrochloride
Also Known As: Indeno(1,2-c)pyrrole, 1,2,3,3a,8,8a-hexahydro-2-butyl-5,6-dimethoxy-, hydrochloride, 1,2,3,3a,8,8a-Hexahydro-2-butyl-5,6-dimethoxy-indeno(1,2-c)pyrrole hydrochloride, 1,2,3,3a,8,8a-Hexahydro-2-butyl-5,6-dimethoxyindeno(1,2-c)pyrrole hydrochloride, 2-butyl-5,6-dimethoxy-1,2,3,3a,8,8a-hexahydroindeno[1,2-c]pyrrole hydrochloride(1:1), 2-Butyl-6,7-dimethoxy-3,3a,4,8b-tetrahydro-1H-indeno(2,1-c)pyrrole hydrochloride
| Molecular Formula | C17H26ClNO2 |
|---|---|
| Molecular Weight | 311.17 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 21.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.1652 |
| Heavy Atoms | 21 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 61-29-0 |
|---|---|
| SMILES | CCCCN1CC2CC3=CC(=C(C=C3C2C1)OC)OC.Cl |
| InChIKey | SOBHPRCIZAYEBQ-UHFFFAOYSA-N |
Product Overview
RefChem:1087282 (CAS 61-29-0), with molecular formula C17H26ClNO2 and molecular weight 311.17 g/mol. IUPAC: 2-butyl-6,7-dimethoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole;hydrochloride.
Chemical Property Profile of RefChem:1087282
Property Insights of RefChem:1087282
The XLogP value of 3.5 indicates that RefChem:1087282 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.7 Ų, RefChem:1087282 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1087282 has 1 hydrogen bond donor(s) and 3 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 RefChem:1087282?
The CAS number of RefChem:1087282 is 61-29-0.
What is the molecular formula of RefChem:1087282?
The molecular formula of RefChem:1087282 is C17H26ClNO2.
What is the molecular weight of RefChem:1087282?
The molecular weight of RefChem:1087282 is 311.17 g/mol.
Where can I buy RefChem:1087282?
You can request a quote for RefChem:1087282 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1087282?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1087282 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.