7,8-(Methylenedioxy)-14-hydroxyberbane
TL;DR: 7,8-(Methylenedioxy)-14-hydroxyberbane (CAS 104786-63-2) is a chemical compound with molecular formula C18H24ClNO3 and molecular weight 337.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,15S,18S,20R)-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9-trien-18-ol;hydrochloride
Also Known As: 7,8-(methylenedioxy)-14-hydroxyberbane, CH-38083 HCl, 7,8-(Methylenedioxy)-14alpha-hydroxyalloberbane HCl, 7,8-(Methylenedioxy)-14-hydroxyberbane hydrochloride, (1S,15S,18S,20R)-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9-trien-18-ol;hydrochloride
| Molecular Formula | C18H24ClNO3 |
|---|---|
| Molecular Weight | 337.14 g/mol |
| LogP | 2.9172 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 337.14447 |
| Heavy Atoms | 23 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 104786-63-2 |
|---|---|
| SMILES | C1C[C@@H]2CN3CCC4=CC5=C(C=C4[C@@H]3C[C@@H]2C[C@H]1O)OCO5.Cl |
| InChIKey | MSHVJMFWPHDENI-AFHKOZSWSA-N |
Product Overview
7,8-(Methylenedioxy)-14-hydroxyberbane (CAS 104786-63-2), with molecular formula C18H24ClNO3 and molecular weight 337.14 g/mol. IUPAC: (1S,15S,18S,20R)-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9-trien-18-ol;hydrochloride.
Chemical Property Profile of 7,8-(Methylenedioxy)-14-hydroxyberbane
Property Insights of 7,8-(Methylenedioxy)-14-hydroxyberbane
The XLogP value of 2.9172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,8-(Methylenedioxy)-14-hydroxyberbane. With a topological polar surface area (TPSA) of 41.9 Ų, 7,8-(Methylenedioxy)-14-hydroxyberbane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7,8-(Methylenedioxy)-14-hydroxyberbane has 2 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 7,8-(Methylenedioxy)-14-hydroxyberbane?
The CAS number of 7,8-(Methylenedioxy)-14-hydroxyberbane is 104786-63-2.
What is the molecular formula of 7,8-(Methylenedioxy)-14-hydroxyberbane?
The molecular formula of 7,8-(Methylenedioxy)-14-hydroxyberbane is C18H24ClNO3.
What is the molecular weight of 7,8-(Methylenedioxy)-14-hydroxyberbane?
The molecular weight of 7,8-(Methylenedioxy)-14-hydroxyberbane is 337.14 g/mol.
Where can I buy 7,8-(Methylenedioxy)-14-hydroxyberbane?
You can request a quote for 7,8-(Methylenedioxy)-14-hydroxyberbane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,8-(Methylenedioxy)-14-hydroxyberbane?
Yes, KEHONG BIO provides custom synthesis services for 7,8-(Methylenedioxy)-14-hydroxyberbane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.