3-(Dimethylamino)propyl 3-chlorobenzoate
TL;DR: 3-(Dimethylamino)propyl 3-chlorobenzoate (CAS 42957-67-5) is a chemical compound with molecular formula C12H16ClNO2 and molecular weight 241.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)propyl 3-chlorobenzoate
Also Known As: 3-(dimethylamino)propyl 3-chlorobenzoate, 3-dimethylaminopropyl 3-chlorobenzoate
| Molecular Formula | C12H16ClNO2 |
|---|---|
| Molecular Weight | 241.09 g/mol |
| LogP | 2.4485 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 241.08696 |
| Heavy Atoms | 16 |
| Complexity | 352.62692 |
Chemical Identifiers
| CAS Number | 42957-67-5 |
|---|---|
| SMILES | CN(C)CCCOC(=O)C1=CC(=CC=C1)Cl |
Product Overview
3-(Dimethylamino)propyl 3-chlorobenzoate (CAS 42957-67-5), with molecular formula C12H16ClNO2 and molecular weight 241.09 g/mol. IUPAC: 3-(dimethylamino)propyl 3-chlorobenzoate.
Chemical Property Profile of 3-(Dimethylamino)propyl 3-chlorobenzoate
Property Insights of 3-(Dimethylamino)propyl 3-chlorobenzoate
The XLogP value of 2.4485 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylamino)propyl 3-chlorobenzoate. With a topological polar surface area (TPSA) of 29.54 Ų, 3-(Dimethylamino)propyl 3-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)propyl 3-chlorobenzoate has 0 hydrogen bond donor(s) and 3 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 3-(Dimethylamino)propyl 3-chlorobenzoate?
The CAS number of 3-(Dimethylamino)propyl 3-chlorobenzoate is 42957-67-5.
What is the molecular formula of 3-(Dimethylamino)propyl 3-chlorobenzoate?
The molecular formula of 3-(Dimethylamino)propyl 3-chlorobenzoate is C12H16ClNO2.
What is the molecular weight of 3-(Dimethylamino)propyl 3-chlorobenzoate?
The molecular weight of 3-(Dimethylamino)propyl 3-chlorobenzoate is 241.09 g/mol.
Where can I buy 3-(Dimethylamino)propyl 3-chlorobenzoate?
You can request a quote for 3-(Dimethylamino)propyl 3-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Dimethylamino)propyl 3-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)propyl 3-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.