RefChem:237420
TL;DR: RefChem:237420 (CAS 5346-93-0) is a chemical compound with molecular formula C16H24BrNO and molecular weight 325.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,9bS)-3-methyl-9b-propyl-2,3a,4,5-tetrahydro-1H-benzo[e]indol-8-ol;hydrobromide
Also Known As: KST-1A5489, 1H-Benz(e)indol-8-ol, 2,3,3a,4,5,9b-hexahydro-3-methyl-9b-propyl-, hydrobromide, cis-, (3ar,9bs)-3-methyl-9b-propyl-2,3,3a,4,5,9b-hexahydro-1h-benzo[e]indol-8-ol hydrobromide(1:1), cis-2,3,3a,4,5,9b-Hexahydro-3-methyl-9b-propyl-1H-benz(e)indol-8-ol hydrobromide, (3aR,9bS)-3-methyl-9b-propyl-2,3a,4,5-tetrahydro-1H-benzo[e]indol-8-ol hydrobromide
| Molecular Formula | C16H24BrNO |
|---|---|
| Molecular Weight | 325.10 g/mol |
| LogP | 3.6583 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 325.10413 |
| Heavy Atoms | 19 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 5346-93-0 |
|---|---|
| SMILES | CCC[C@@]12CCN([C@@H]1CCC3=C2C=C(C=C3)O)C.Br |
| InChIKey | ZBFPKHXXQJFURG-RCPFAERMSA-N |
Product Overview
RefChem:237420 (CAS 5346-93-0), with molecular formula C16H24BrNO and molecular weight 325.10 g/mol. IUPAC: (3aR,9bS)-3-methyl-9b-propyl-2,3a,4,5-tetrahydro-1H-benzo[e]indol-8-ol;hydrobromide.
Chemical Property Profile of RefChem:237420
Property Insights of RefChem:237420
The XLogP value of 3.6583 indicates that RefChem:237420 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, RefChem:237420 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:237420 has 2 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 RefChem:237420?
The CAS number of RefChem:237420 is 5346-93-0.
What is the molecular formula of RefChem:237420?
The molecular formula of RefChem:237420 is C16H24BrNO.
What is the molecular weight of RefChem:237420?
The molecular weight of RefChem:237420 is 325.10 g/mol.
Where can I buy RefChem:237420?
You can request a quote for RefChem:237420 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:237420?
Yes, KEHONG BIO provides custom synthesis services for RefChem:237420 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.