1H-Azonine-1-ethanol, octahydro-beta-methyl-, benzilate, hydrochloride
TL;DR: 1H-Azonine-1-ethanol, octahydro-beta-methyl-, benzilate, hydrochloride (CAS 99901-11-8) is a chemical compound with molecular formula C25H34ClNO3 and molecular weight 431.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(azonan-1-ium-1-yl)propyl 2-hydroxy-2,2-diphenylacetate chloride
Also Known As: C25N33NO3.ClH, 2-(1,8-Octamethyleneamino)propyl benzilate hydrochloride, 1H-AZONINE-1-ETHANOL, OCTAHYDRO-beta-METHYL-, BENZILATE, HYDROCHLORIDE, 2-(azonan-1-ium-1-yl)propyl 2-hydroxy-2,2-diphenylacetate chloride, RefChem:1057804
| Molecular Formula | C25H34ClNO3 |
|---|---|
| Molecular Weight | 431.22 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 431.22272 |
| Heavy Atoms | 30 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 99901-11-8 |
|---|---|
| SMILES | CC(COC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O)[NH+]3CCCCCCCC3.[Cl-] |
| InChIKey | GPZAFJAUIWVZCI-UHFFFAOYSA-N |
Product Overview
1H-Azonine-1-ethanol, octahydro-beta-methyl-, benzilate, hydrochloride (CAS 99901-11-8), with molecular formula C25H34ClNO3 and molecular weight 431.22 g/mol. IUPAC: 2-(azonan-1-ium-1-yl)propyl 2-hydroxy-2,2-diphenylacetate chloride.
Chemical Property Profile of 1H-Azonine-1-ethanol, octahydro-beta-methyl-, benzilate, hydrochloride
Property Insights of 1H-Azonine-1-ethanol, octahydro-beta-methyl-, benzilate, hydrochloride
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Azonine-1-ethanol, octahydro-beta-methyl-, benzilate, hydrochloride. With a topological polar surface area (TPSA) of 51.0 Ų, 1H-Azonine-1-ethanol, octahydro-beta-methyl-, benzilate, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Azonine-1-ethanol, octahydro-beta-methyl-, benzilate, hydrochloride 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 1H-Azonine-1-ethanol, octahydro-beta-methyl-, benzilate, hydrochloride?
The CAS number of 1H-Azonine-1-ethanol, octahydro-beta-methyl-, benzilate, hydrochloride is 99901-11-8.
What is the molecular formula of 1H-Azonine-1-ethanol, octahydro-beta-methyl-, benzilate, hydrochloride?
The molecular formula of 1H-Azonine-1-ethanol, octahydro-beta-methyl-, benzilate, hydrochloride is C25H34ClNO3.
What is the molecular weight of 1H-Azonine-1-ethanol, octahydro-beta-methyl-, benzilate, hydrochloride?
The molecular weight of 1H-Azonine-1-ethanol, octahydro-beta-methyl-, benzilate, hydrochloride is 431.22 g/mol.
Where can I buy 1H-Azonine-1-ethanol, octahydro-beta-methyl-, benzilate, hydrochloride?
You can request a quote for 1H-Azonine-1-ethanol, octahydro-beta-methyl-, benzilate, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Azonine-1-ethanol, octahydro-beta-methyl-, benzilate, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1H-Azonine-1-ethanol, octahydro-beta-methyl-, benzilate, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.