Isoretronecanol
TL;DR: Isoretronecanol (CAS 526-63-6) is a chemical compound with molecular formula C8H15NO and molecular weight 141.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol
Also Known As: Isoretronecanol, (-)-isoretronecanol, 9-HYDROXYHELIOTRIDANE, ISORETRONECANOL, (-)-, HELIOTRIDANE, 9-HYDROXY-
| Molecular Formula | C8H15NO |
|---|---|
| Molecular Weight | 141.12 g/mol |
| LogP | 0.463 |
| Topological Polar Surface Area | 23.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 141.11537 |
| Heavy Atoms | 10 |
| Complexity | 126.426 |
Chemical Identifiers
| CAS Number | 526-63-6 |
|---|---|
| SMILES | C1C[C@H]2[C@H](CCN2C1)CO |
Product Overview
Isoretronecanol (CAS 526-63-6), with molecular formula C8H15NO and molecular weight 141.12 g/mol. IUPAC: [(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol.
Chemical Property Profile of Isoretronecanol
Property Insights of Isoretronecanol
The XLogP value of 0.463 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoretronecanol. With a topological polar surface area (TPSA) of 23.47 Ų, Isoretronecanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoretronecanol has 1 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 Isoretronecanol?
The CAS number of Isoretronecanol is 526-63-6.
What is the molecular formula of Isoretronecanol?
The molecular formula of Isoretronecanol is C8H15NO.
What is the molecular weight of Isoretronecanol?
The molecular weight of Isoretronecanol is 141.12 g/mol.
Where can I buy Isoretronecanol?
You can request a quote for Isoretronecanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoretronecanol?
Yes, KEHONG BIO provides custom synthesis services for Isoretronecanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.