Exepanol
TL;DR: Exepanol (CAS 77416-65-0) is a chemical compound with molecular formula C11H15NO2 and molecular weight 193.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5R)-3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
Also Known As: Exepanol, Exepanolum, Exepanol [INN], Exepanolum [INN-Latin], (3S,5R)-3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.11028 |
| Heavy Atoms | 14 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 77416-65-0 |
|---|---|
| SMILES | CN[C@H]1C[C@H](C2=CC=CC=C2OC1)O |
| InChIKey | JWUPWOYNGNTOKD-WCBMZHEXSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Exepanol (CAS 77416-65-0), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: (3S,5R)-3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol.
Chemical Property Profile of Exepanol
Property Insights of Exepanol
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Exepanol. With a topological polar surface area (TPSA) of 41.5 Ų, Exepanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Exepanol has 2 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 Exepanol?
The CAS number of Exepanol is 77416-65-0.
What is the molecular formula of Exepanol?
The molecular formula of Exepanol is C11H15NO2.
What is the molecular weight of Exepanol?
The molecular weight of Exepanol is 193.11 g/mol.
Where can I buy Exepanol?
You can request a quote for Exepanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Exepanol?
Yes, KEHONG BIO provides custom synthesis services for Exepanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.