(4aR,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
TL;DR: (4aR,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol (CAS 81562-77-8) is a chemical compound with molecular formula C9H17NO and molecular weight 155.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aR,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
Also Known As: BAS 01923092, 4a(2H)-Isoquinolinol, octahydro-, (4aR,8aR)-rel-, (4aR,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
| Molecular Formula | C9H17NO |
|---|---|
| Molecular Weight | 155.13 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 155.13101 |
| Heavy Atoms | 11 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 81562-77-8 |
|---|---|
| SMILES | C1CC[C@]2(CCNC[C@H]2C1)O |
| InChIKey | JCCPJOSXNCXEPE-RKDXNWHRSA-N |
Product Overview
(4aR,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol (CAS 81562-77-8), with molecular formula C9H17NO and molecular weight 155.13 g/mol. IUPAC: (4aR,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol.
Chemical Property Profile of (4aR,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
Property Insights of (4aR,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4aR,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol. With a topological polar surface area (TPSA) of 32.3 Ų, (4aR,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4aR,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol 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 (4aR,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol?
The CAS number of (4aR,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol is 81562-77-8.
What is the molecular formula of (4aR,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol?
The molecular formula of (4aR,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol is C9H17NO.
What is the molecular weight of (4aR,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol?
The molecular weight of (4aR,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol is 155.13 g/mol.
Where can I buy (4aR,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol?
You can request a quote for (4aR,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4aR,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol?
Yes, KEHONG BIO provides custom synthesis services for (4aR,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.