RefChem:1053827
TL;DR: RefChem:1053827 (CAS 42740-17-0) is a chemical compound with molecular formula C20H22Cl3NO3 and molecular weight 429.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(2,4-dichlorophenyl)-3-morpholin-4-ylpropyl] benzoate;hydrochloride
Also Known As: alpha-(2,4-Dichlorophenyl)-4-morpholinepropanol benzoate (ester) hydrochloride, Benzoic acid, 1-(2,4-dichlorophenyl)-3-morpholinopropyl ester, hydrochloride, 4-Morpholinepropanol, alpha-(2,4-dichlorophenyl)-, benzoate (ester), hydrochloride, 1-(2,4-Dichlorophenyl)-3-(morpholin-4-yl)propyl benzoate--hydrogen chloride (1/1), [1-(2,4-dichlorophenyl)-3-morpholin-4-ylpropyl] benzoate hydrochloride
| Molecular Formula | C20H22Cl3NO3 |
|---|---|
| Molecular Weight | 429.07 g/mol |
| LogP | 5.0356 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.06653 |
| Heavy Atoms | 27 |
| Complexity | 736.5067 |
Chemical Identifiers
| CAS Number | 42740-17-0 |
|---|---|
| SMILES | C1COCCN1CCC(C2=C(C=C(C=C2)Cl)Cl)OC(=O)C3=CC=CC=C3.Cl |
Product Overview
RefChem:1053827 (CAS 42740-17-0), with molecular formula C20H22Cl3NO3 and molecular weight 429.07 g/mol. IUPAC: [1-(2,4-dichlorophenyl)-3-morpholin-4-ylpropyl] benzoate;hydrochloride.
Chemical Property Profile of RefChem:1053827
Property Insights of RefChem:1053827
The XLogP value of 5.0356 indicates that RefChem:1053827 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, RefChem:1053827 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1053827 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1053827?
The CAS number of RefChem:1053827 is 42740-17-0.
What is the molecular formula of RefChem:1053827?
The molecular formula of RefChem:1053827 is C20H22Cl3NO3.
What is the molecular weight of RefChem:1053827?
The molecular weight of RefChem:1053827 is 429.07 g/mol.
Where can I buy RefChem:1053827?
You can request a quote for RefChem:1053827 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1053827?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1053827 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.