Acetic acid, 2-(4-chlorophenoxy)-, 2-(dimethylamino)propyl ester
TL;DR: Acetic acid, 2-(4-chlorophenoxy)-, 2-(dimethylamino)propyl ester (CAS 4210-71-3) is a chemical compound with molecular formula C13H18ClNO3 and molecular weight 271.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)propyl 2-(4-chlorophenoxy)acetate
Also Known As: 2-(Dimethylamino)propyl (4-chlorophenoxy)acetate, 2-(dimethylamino)propyl 2-(4-chlorophenoxy)acetate, Acetic acid, (4-chlorophenoxy)-, 2-(dimethylamino)propyl ester, Acetic acid, (p-chlorophenoxy)-, 2-(dimethylamino)propyl ester, Acetic acid, 2-(4-chlorophenoxy)-, 2-(dimethylamino)propyl ester
| Molecular Formula | C13H18ClNO3 |
|---|---|
| Molecular Weight | 271.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 271.09753 |
| Heavy Atoms | 18 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 4210-71-3 |
|---|---|
| SMILES | CC(COC(=O)COC1=CC=C(C=C1)Cl)N(C)C |
| InChIKey | XFXUAEWFQNFSNW-UHFFFAOYSA-N |
Product Overview
Acetic acid, 2-(4-chlorophenoxy)-, 2-(dimethylamino)propyl ester (CAS 4210-71-3), with molecular formula C13H18ClNO3 and molecular weight 271.10 g/mol. IUPAC: 2-(dimethylamino)propyl 2-(4-chlorophenoxy)acetate.
Chemical Property Profile of Acetic acid, 2-(4-chlorophenoxy)-, 2-(dimethylamino)propyl ester
Property Insights of Acetic acid, 2-(4-chlorophenoxy)-, 2-(dimethylamino)propyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 2-(4-chlorophenoxy)-, 2-(dimethylamino)propyl ester. With a topological polar surface area (TPSA) of 38.8 Ų, Acetic acid, 2-(4-chlorophenoxy)-, 2-(dimethylamino)propyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, 2-(4-chlorophenoxy)-, 2-(dimethylamino)propyl ester has 0 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 Acetic acid, 2-(4-chlorophenoxy)-, 2-(dimethylamino)propyl ester?
The CAS number of Acetic acid, 2-(4-chlorophenoxy)-, 2-(dimethylamino)propyl ester is 4210-71-3.
What is the molecular formula of Acetic acid, 2-(4-chlorophenoxy)-, 2-(dimethylamino)propyl ester?
The molecular formula of Acetic acid, 2-(4-chlorophenoxy)-, 2-(dimethylamino)propyl ester is C13H18ClNO3.
What is the molecular weight of Acetic acid, 2-(4-chlorophenoxy)-, 2-(dimethylamino)propyl ester?
The molecular weight of Acetic acid, 2-(4-chlorophenoxy)-, 2-(dimethylamino)propyl ester is 271.10 g/mol.
Where can I buy Acetic acid, 2-(4-chlorophenoxy)-, 2-(dimethylamino)propyl ester?
You can request a quote for Acetic acid, 2-(4-chlorophenoxy)-, 2-(dimethylamino)propyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2-(4-chlorophenoxy)-, 2-(dimethylamino)propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2-(4-chlorophenoxy)-, 2-(dimethylamino)propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.