RefChem:1082530
TL;DR: RefChem:1082530 (CAS 4069-27-6) is a chemical compound with molecular formula C21H32ClNO and molecular weight 349.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclohexyl-5-(diethylamino)-1-phenylpent-2-yn-1-ol;hydrochloride
Also Known As: alpha-(4-(Diethylamino)-1-butynyl)-alpha-phenylcyclohexanemethanol hydrochloride, Cyclohexanemethanol, alpha-(4-(diethylamino)-1-butynyl)-alpha-phenyl-, hydrochloride, 1-cyclohexyl-5-(diethylamino)-1-phenylpent-2-yn-1-ol hydrochloride, 1-Cyclohexyl-5-(diethylamino)-1-phenylpent-2-yn-1-ol--hydrogen chloride (1/1), RefChem:1082530
| Molecular Formula | C21H32ClNO |
|---|---|
| Molecular Weight | 349.22 g/mol |
| LogP | 4.6116 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 349.21725 |
| Heavy Atoms | 24 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 4069-27-6 |
|---|---|
| SMILES | CCN(CC)CCC#CC(C1CCCCC1)(C2=CC=CC=C2)O.Cl |
| InChIKey | JWMRNGSXCWCZJQ-UHFFFAOYSA-N |
Product Overview
RefChem:1082530 (CAS 4069-27-6), with molecular formula C21H32ClNO and molecular weight 349.22 g/mol. IUPAC: 1-cyclohexyl-5-(diethylamino)-1-phenylpent-2-yn-1-ol;hydrochloride.
Chemical Property Profile of RefChem:1082530
Property Insights of RefChem:1082530
The XLogP value of 4.6116 indicates that RefChem:1082530 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, RefChem:1082530 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1082530 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:1082530?
The CAS number of RefChem:1082530 is 4069-27-6.
What is the molecular formula of RefChem:1082530?
The molecular formula of RefChem:1082530 is C21H32ClNO.
What is the molecular weight of RefChem:1082530?
The molecular weight of RefChem:1082530 is 349.22 g/mol.
Where can I buy RefChem:1082530?
You can request a quote for RefChem:1082530 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1082530?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1082530 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.