RefChem:1053461
TL;DR: RefChem:1053461 (CAS 54915-22-9) is a chemical compound with molecular formula C14H20ClNO and molecular weight 253.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(10-azatricyclo[6.3.2.02,7]trideca-2,4,6-trien-10-yl)ethanol;hydrochloride
Also Known As: 1,5-Ethano-1H-3-benzazepine-3-ethanol, 2,3,4,5-tetrahydro-, hydrochloride, 1,5-Ethano-1H-3-benzazepine, 2,3,4,5-tetrahydro-3-(2-hydroxyethyl)-, hydrochloride, 2-(1,2,4,5-tetrahydro-3h-1,5-ethano-3-benzazepin-3-yl)ethanol hydrochloride(1:1), 3-(2-Hydroxyethyl)-1,5-ethano-2,3,4,5-tetrahydro-1,5-ethano-1H-3-benzazepine, 2-(1,2,4,5-Tetrahydro-3H-1,5-ethano-3-benzazepin-3-yl)ethan-1-ol--hydrogen chloride (1/1)
| Molecular Formula | C14H20ClNO |
|---|---|
| Molecular Weight | 253.12 g/mol |
| LogP | 2.38 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.12334 |
| Heavy Atoms | 17 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 54915-22-9 |
|---|---|
| SMILES | C1CC2CN(CC1C3=CC=CC=C23)CCO.Cl |
| InChIKey | VAWYEVZMVDZVCF-UHFFFAOYSA-N |
Product Overview
RefChem:1053461 (CAS 54915-22-9), with molecular formula C14H20ClNO and molecular weight 253.12 g/mol. IUPAC: 2-(10-azatricyclo[6.3.2.02,7]trideca-2,4,6-trien-10-yl)ethanol;hydrochloride.
Chemical Property Profile of RefChem:1053461
Property Insights of RefChem:1053461
The XLogP value of 2.38 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1053461. With a topological polar surface area (TPSA) of 23.5 Ų, RefChem:1053461 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1053461 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 RefChem:1053461?
The CAS number of RefChem:1053461 is 54915-22-9.
What is the molecular formula of RefChem:1053461?
The molecular formula of RefChem:1053461 is C14H20ClNO.
What is the molecular weight of RefChem:1053461?
The molecular weight of RefChem:1053461 is 253.12 g/mol.
Where can I buy RefChem:1053461?
You can request a quote for RefChem:1053461 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1053461?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1053461 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.