3H-Benz(e)indol-8-ol, 1,2,3a,4,5,9b-hexahydro-5-methyl-9b-propyl-, hydrochloride
TL;DR: 3H-Benz(e)indol-8-ol, 1,2,3a,4,5,9b-hexahydro-5-methyl-9b-propyl-, hydrochloride (CAS 100447-46-9) is a chemical compound with molecular formula C16H24ClNO and molecular weight 281.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-9b-propyl-1,2,3,3a,4,5-hexahydrobenzo[e]indol-8-ol;hydrochloride
Also Known As: 1,2,3a,4,5,9b-Hexahydro-8-hydroxy-3-methyl-9b-propyl-3H-benz(e)indole, hydrochloride, 3H-Benz(e)indol-8-ol, 1,2,3a,4,5,9b-hexahydro-5-methyl-9b-propyl-, hydrochloride, 5-methyl-9b-propyl-1,2,3,3a,4,5-hexahydrobenzo[e]indol-8-ol hydrochloride, 5-Methyl-9b-propyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indol-8-ol--hydrogen chloride (1/1), RefChem:283086
| Molecular Formula | C16H24ClNO |
|---|---|
| Molecular Weight | 281.15 g/mol |
| LogP | 3.721 |
| Topological Polar Surface Area | 32.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.15463 |
| Heavy Atoms | 19 |
| Complexity | 462.0622 |
Chemical Identifiers
| CAS Number | 100447-46-9 |
|---|---|
| SMILES | CCCC12CCNC1CC(C3=C2C=C(C=C3)O)C.Cl |
Product Overview
3H-Benz(e)indol-8-ol, 1,2,3a,4,5,9b-hexahydro-5-methyl-9b-propyl-, hydrochloride (CAS 100447-46-9), with molecular formula C16H24ClNO and molecular weight 281.15 g/mol. IUPAC: 5-methyl-9b-propyl-1,2,3,3a,4,5-hexahydrobenzo[e]indol-8-ol;hydrochloride.
Chemical Property Profile of 3H-Benz(e)indol-8-ol, 1,2,3a,4,5,9b-hexahydro-5-methyl-9b-propyl-, hydrochloride
Property Insights of 3H-Benz(e)indol-8-ol, 1,2,3a,4,5,9b-hexahydro-5-methyl-9b-propyl-, hydrochloride
The XLogP value of 3.721 indicates that 3H-Benz(e)indol-8-ol, 1,2,3a,4,5,9b-hexahydro-5-methyl-9b-propyl-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.26 Ų, 3H-Benz(e)indol-8-ol, 1,2,3a,4,5,9b-hexahydro-5-methyl-9b-propyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-Benz(e)indol-8-ol, 1,2,3a,4,5,9b-hexahydro-5-methyl-9b-propyl-, hydrochloride 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 3H-Benz(e)indol-8-ol, 1,2,3a,4,5,9b-hexahydro-5-methyl-9b-propyl-, hydrochloride?
The CAS number of 3H-Benz(e)indol-8-ol, 1,2,3a,4,5,9b-hexahydro-5-methyl-9b-propyl-, hydrochloride is 100447-46-9.
What is the molecular formula of 3H-Benz(e)indol-8-ol, 1,2,3a,4,5,9b-hexahydro-5-methyl-9b-propyl-, hydrochloride?
The molecular formula of 3H-Benz(e)indol-8-ol, 1,2,3a,4,5,9b-hexahydro-5-methyl-9b-propyl-, hydrochloride is C16H24ClNO.
What is the molecular weight of 3H-Benz(e)indol-8-ol, 1,2,3a,4,5,9b-hexahydro-5-methyl-9b-propyl-, hydrochloride?
The molecular weight of 3H-Benz(e)indol-8-ol, 1,2,3a,4,5,9b-hexahydro-5-methyl-9b-propyl-, hydrochloride is 281.15 g/mol.
Where can I buy 3H-Benz(e)indol-8-ol, 1,2,3a,4,5,9b-hexahydro-5-methyl-9b-propyl-, hydrochloride?
You can request a quote for 3H-Benz(e)indol-8-ol, 1,2,3a,4,5,9b-hexahydro-5-methyl-9b-propyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-Benz(e)indol-8-ol, 1,2,3a,4,5,9b-hexahydro-5-methyl-9b-propyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3H-Benz(e)indol-8-ol, 1,2,3a,4,5,9b-hexahydro-5-methyl-9b-propyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.