RefChem:1078309
TL;DR: RefChem:1078309 (CAS 7596-40-9) is a chemical compound with molecular formula C20H30ClNO3 and molecular weight 367.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 3-(cyclopenten-1-yl)-3-hydroxy-2-phenylpropanoate;hydrochloride
Also Known As: 1-Cyclopentene-1-hydracrylic acid, alpha-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride, 2-(diethylamino)ethyl 3-(cyclopent-1-en-1-yl)-3-hydroxy-2-phenylpropanoate hydrochloride(1:1), alpha-Phenyl-1-cyclopentene-1-hydracrylic acid 2-(diethylamino)ethyl ester hydrochloride, 2-(diethylamino)ethyl 3-(cyclopenten-1-yl)-3-hydroxy-2-pheny, 2-(diethylamino)ethyl 3-(cyclopenten-1-yl)-3-hydroxy-2-phenylpropanoate,hydrochloride
| Molecular Formula | C20H30ClNO3 |
|---|---|
| Molecular Weight | 367.19 g/mol |
| LogP | 3.55 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 367.1914 |
| Heavy Atoms | 25 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 7596-40-9 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C(C1=CC=CC=C1)C(C2=CCCC2)O.Cl |
| InChIKey | AAFHYBKOAIQHAR-UHFFFAOYSA-N |
Product Overview
RefChem:1078309 (CAS 7596-40-9), with molecular formula C20H30ClNO3 and molecular weight 367.19 g/mol. IUPAC: 2-(diethylamino)ethyl 3-(cyclopenten-1-yl)-3-hydroxy-2-phenylpropanoate;hydrochloride.
Chemical Property Profile of RefChem:1078309
Property Insights of RefChem:1078309
The XLogP value of 3.55 indicates that RefChem:1078309 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, RefChem:1078309 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1078309 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 RefChem:1078309?
The CAS number of RefChem:1078309 is 7596-40-9.
What is the molecular formula of RefChem:1078309?
The molecular formula of RefChem:1078309 is C20H30ClNO3.
What is the molecular weight of RefChem:1078309?
The molecular weight of RefChem:1078309 is 367.19 g/mol.
Where can I buy RefChem:1078309?
You can request a quote for RefChem:1078309 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1078309?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1078309 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.