3-(Dimethylamino)propyl 3-methylbenzoate
TL;DR: 3-(Dimethylamino)propyl 3-methylbenzoate (CAS 42957-66-4) is a chemical compound with molecular formula C13H19NO2 and molecular weight 221.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)propyl 3-methylbenzoate
Also Known As: 3-(dimethylamino)propyl 3-methylbenzoate, AO-365/41272889, AB01318874-02
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | 2.10352 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 221.14159 |
| Heavy Atoms | 16 |
| Complexity | 347.54077 |
Chemical Identifiers
| CAS Number | 42957-66-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)OCCCN(C)C |
Product Overview
3-(Dimethylamino)propyl 3-methylbenzoate (CAS 42957-66-4), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: 3-(dimethylamino)propyl 3-methylbenzoate.
Chemical Property Profile of 3-(Dimethylamino)propyl 3-methylbenzoate
Property Insights of 3-(Dimethylamino)propyl 3-methylbenzoate
The XLogP value of 2.10352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylamino)propyl 3-methylbenzoate. With a topological polar surface area (TPSA) of 29.54 Ų, 3-(Dimethylamino)propyl 3-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)propyl 3-methylbenzoate 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-methylbenzoate?
The CAS number of 3-(Dimethylamino)propyl 3-methylbenzoate is 42957-66-4.
What is the molecular formula of 3-(Dimethylamino)propyl 3-methylbenzoate?
The molecular formula of 3-(Dimethylamino)propyl 3-methylbenzoate is C13H19NO2.
What is the molecular weight of 3-(Dimethylamino)propyl 3-methylbenzoate?
The molecular weight of 3-(Dimethylamino)propyl 3-methylbenzoate is 221.14 g/mol.
Where can I buy 3-(Dimethylamino)propyl 3-methylbenzoate?
You can request a quote for 3-(Dimethylamino)propyl 3-methylbenzoate 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-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)propyl 3-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.