3-(Dimethylamino)propyl 4-aminobenzoate
TL;DR: 3-(Dimethylamino)propyl 4-aminobenzoate (CAS 42957-61-9) is a chemical compound with molecular formula C12H18N2O2 and molecular weight 222.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)propyl 4-aminobenzoate
Also Known As: 3-dimethylaminopropyl 4-aminobenzoate, 3-(dimethylamino)propyl 4-aminobenzoate, 4-amino-benzoic acid-(3-dimethylamino-propyl ester)
| Molecular Formula | C12H18N2O2 |
|---|---|
| Molecular Weight | 222.14 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 55.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 222.13683 |
| Heavy Atoms | 16 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 42957-61-9 |
|---|---|
| SMILES | CN(C)CCCOC(=O)C1=CC=C(C=C1)N |
| InChIKey | MKDOQVBEXJOVPK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Dimethylamino)propyl 4-aminobenzoate (CAS 42957-61-9), with molecular formula C12H18N2O2 and molecular weight 222.14 g/mol. IUPAC: 3-(dimethylamino)propyl 4-aminobenzoate.
Chemical Property Profile of 3-(Dimethylamino)propyl 4-aminobenzoate
Property Insights of 3-(Dimethylamino)propyl 4-aminobenzoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylamino)propyl 4-aminobenzoate. With a topological polar surface area (TPSA) of 55.6 Ų, 3-(Dimethylamino)propyl 4-aminobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)propyl 4-aminobenzoate 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 3-(Dimethylamino)propyl 4-aminobenzoate?
The CAS number of 3-(Dimethylamino)propyl 4-aminobenzoate is 42957-61-9.
What is the molecular formula of 3-(Dimethylamino)propyl 4-aminobenzoate?
The molecular formula of 3-(Dimethylamino)propyl 4-aminobenzoate is C12H18N2O2.
What is the molecular weight of 3-(Dimethylamino)propyl 4-aminobenzoate?
The molecular weight of 3-(Dimethylamino)propyl 4-aminobenzoate is 222.14 g/mol.
Where can I buy 3-(Dimethylamino)propyl 4-aminobenzoate?
You can request a quote for 3-(Dimethylamino)propyl 4-aminobenzoate 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 4-aminobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)propyl 4-aminobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.