Mesembrinol
TL;DR: Mesembrinol (CAS 23544-42-5) is a chemical compound with molecular formula C17H25NO3 and molecular weight 291.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aS,6R,7aS)-3a-(3,4-dimethoxyphenyl)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-6-ol
Also Known As: Mesembrinol, (-)-Mesembranol, (+)-Mesembranol, US20240398759, Compound 018, (3aS,6R,7aS)-3a-(3,4-dimethoxyphenyl)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-6-ol
| Molecular Formula | C17H25NO3 |
|---|---|
| Molecular Weight | 291.18 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.18344 |
| Heavy Atoms | 21 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 23544-42-5 |
|---|---|
| SMILES | CN1CC[C@]2([C@@H]1C[C@@H](CC2)O)C3=CC(=C(C=C3)OC)OC |
| InChIKey | KPMLOZVRLWHOBN-COXVUDFISA-N |
Product Overview
Mesembrinol (CAS 23544-42-5), with molecular formula C17H25NO3 and molecular weight 291.18 g/mol. IUPAC: (3aS,6R,7aS)-3a-(3,4-dimethoxyphenyl)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-6-ol.
Chemical Property Profile of Mesembrinol
Property Insights of Mesembrinol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mesembrinol. With a topological polar surface area (TPSA) of 41.9 Ų, Mesembrinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mesembrinol has 1 hydrogen bond donor(s) and 4 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 Mesembrinol?
The CAS number of Mesembrinol is 23544-42-5.
What is the molecular formula of Mesembrinol?
The molecular formula of Mesembrinol is C17H25NO3.
What is the molecular weight of Mesembrinol?
The molecular weight of Mesembrinol is 291.18 g/mol.
Where can I buy Mesembrinol?
You can request a quote for Mesembrinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mesembrinol?
Yes, KEHONG BIO provides custom synthesis services for Mesembrinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.