3-Methoxy-1,6-didehydroerythrinan-15-ol
TL;DR: 3-Methoxy-1,6-didehydroerythrinan-15-ol (CAS 1398-75-0) is a chemical compound with molecular formula C17H21NO2 and molecular weight 271.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-methoxy-2,3,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinolin-12-ol
Also Known As: 4-Benzylactone, 3-Methoxy-1,6-didehydroerythrinan-15-ol, 3alpha-Methoxy-1,6-didehydroerythrinan-15-ol, (2S)-2-methoxy-2,3,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinolin-12-ol
| Molecular Formula | C17H21NO2 |
|---|---|
| Molecular Weight | 271.16 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 271.15723 |
| Heavy Atoms | 20 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 1398-75-0 |
|---|---|
| SMILES | CO[C@H]1CC=C2CCN3C2(C1)C4=C(CC3)C=CC(=C4)O |
| InChIKey | HJMBLPWMTXSDPK-MYJWUSKBSA-N |
Product Overview
3-Methoxy-1,6-didehydroerythrinan-15-ol (CAS 1398-75-0), with molecular formula C17H21NO2 and molecular weight 271.16 g/mol. IUPAC: (2S)-2-methoxy-2,3,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinolin-12-ol.
Chemical Property Profile of 3-Methoxy-1,6-didehydroerythrinan-15-ol
Property Insights of 3-Methoxy-1,6-didehydroerythrinan-15-ol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxy-1,6-didehydroerythrinan-15-ol. With a topological polar surface area (TPSA) of 32.7 Ų, 3-Methoxy-1,6-didehydroerythrinan-15-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxy-1,6-didehydroerythrinan-15-ol 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 3-Methoxy-1,6-didehydroerythrinan-15-ol?
The CAS number of 3-Methoxy-1,6-didehydroerythrinan-15-ol is 1398-75-0.
What is the molecular formula of 3-Methoxy-1,6-didehydroerythrinan-15-ol?
The molecular formula of 3-Methoxy-1,6-didehydroerythrinan-15-ol is C17H21NO2.
What is the molecular weight of 3-Methoxy-1,6-didehydroerythrinan-15-ol?
The molecular weight of 3-Methoxy-1,6-didehydroerythrinan-15-ol is 271.16 g/mol.
Where can I buy 3-Methoxy-1,6-didehydroerythrinan-15-ol?
You can request a quote for 3-Methoxy-1,6-didehydroerythrinan-15-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxy-1,6-didehydroerythrinan-15-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxy-1,6-didehydroerythrinan-15-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.