RefChem:1067116
TL;DR: RefChem:1067116 (CAS 10082-91-4) is a chemical compound with molecular formula C21H28ClNO3 and molecular weight 377.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)propyl 3-(4-methoxyphenyl)-2-phenylpropanoate;hydrochloride
Also Known As: 3-(p-Methoxyphenyl)-2-phenylpropionic acid 3-(dimethylamino)propyl ester hydrochloride, Propionic acid, 3-(p-methoxyphenyl)-2-phenyl-, 3-(dimethylamino)propyl ester, hydrochloride, 3-(Dimethylamino)propyl 3-(4-methoxyphenyl)-2-phenylpropanoate--hydrogen chloride (1/1), 3-(dimethylamino)propyl 3-(4-methoxyphenyl)-2-phenylpropanoate hydrochloride, RefChem:1067116
| Molecular Formula | C21H28ClNO3 |
|---|---|
| Molecular Weight | 377.18 g/mol |
| LogP | 3.9382 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 377.17578 |
| Heavy Atoms | 26 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 10082-91-4 |
|---|---|
| SMILES | CN(C)CCCOC(=O)C(CC1=CC=C(C=C1)OC)C2=CC=CC=C2.Cl |
| InChIKey | HWWHOGXMSCQAOH-UHFFFAOYSA-N |
Product Overview
RefChem:1067116 (CAS 10082-91-4), with molecular formula C21H28ClNO3 and molecular weight 377.18 g/mol. IUPAC: 3-(dimethylamino)propyl 3-(4-methoxyphenyl)-2-phenylpropanoate;hydrochloride.
Chemical Property Profile of RefChem:1067116
Property Insights of RefChem:1067116
The XLogP value of 3.9382 indicates that RefChem:1067116 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, RefChem:1067116 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1067116 has 1 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:1067116?
The CAS number of RefChem:1067116 is 10082-91-4.
What is the molecular formula of RefChem:1067116?
The molecular formula of RefChem:1067116 is C21H28ClNO3.
What is the molecular weight of RefChem:1067116?
The molecular weight of RefChem:1067116 is 377.18 g/mol.
Where can I buy RefChem:1067116?
You can request a quote for RefChem:1067116 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1067116?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1067116 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.