13-alpha-Hydroxyxylopinine
TL;DR: 13-alpha-Hydroxyxylopinine (CAS 59414-58-3) is a chemical compound with molecular formula C21H25NO5 and molecular weight 371.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(13S,13aR)-2,3,10,11-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-13-ol
Also Known As: 13-alpha-Hydroxyxylopinine, (+-)-13-alpha-Hydroxyxylopinine, 5-21-06-00272 (Beilstein Handbook Reference), J1.345.481G, cis-(+-)-5,8,13,13a-Tetrahydro-2,3,10,11-tetramethoxy-6H-dibenzo(a,g)quinolizin-13-ol
| Molecular Formula | C21H25NO5 |
|---|---|
| Molecular Weight | 371.17 g/mol |
| LogP | 2.8674 |
| Topological Polar Surface Area | 60.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.17328 |
| Heavy Atoms | 27 |
| Complexity | 866.13586 |
Chemical Identifiers
| CAS Number | 59414-58-3 |
|---|---|
| SMILES | COC1=C(C=C2[C@@H]3[C@H](C4=CC(=C(C=C4CN3CCC2=C1)OC)OC)O)OC |
Product Overview
13-alpha-Hydroxyxylopinine (CAS 59414-58-3), with molecular formula C21H25NO5 and molecular weight 371.17 g/mol. IUPAC: (13S,13aR)-2,3,10,11-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-13-ol.
Chemical Property Profile of 13-alpha-Hydroxyxylopinine
Property Insights of 13-alpha-Hydroxyxylopinine
The XLogP value of 2.8674 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 13-alpha-Hydroxyxylopinine. The TPSA of 60.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 13-alpha-Hydroxyxylopinine. Following Lipinski's Rule of Five, 13-alpha-Hydroxyxylopinine has 1 hydrogen bond donor(s) and 6 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 13-alpha-Hydroxyxylopinine?
The CAS number of 13-alpha-Hydroxyxylopinine is 59414-58-3.
What is the molecular formula of 13-alpha-Hydroxyxylopinine?
The molecular formula of 13-alpha-Hydroxyxylopinine is C21H25NO5.
What is the molecular weight of 13-alpha-Hydroxyxylopinine?
The molecular weight of 13-alpha-Hydroxyxylopinine is 371.17 g/mol.
Where can I buy 13-alpha-Hydroxyxylopinine?
You can request a quote for 13-alpha-Hydroxyxylopinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13-alpha-Hydroxyxylopinine?
Yes, KEHONG BIO provides custom synthesis services for 13-alpha-Hydroxyxylopinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.