3-((Dimethylamino)methyl)-4-hydroxy butyl ester benzoic acid
TL;DR: 3-((Dimethylamino)methyl)-4-hydroxy butyl ester benzoic acid (CAS 6279-54-5) is a chemical compound with molecular formula C14H21NO3 and molecular weight 251.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 3-[(dimethylamino)methyl]-4-hydroxybenzoate
Also Known As: Benzoic acid, butyl ester, Butyl 3-((dimethylamino)methyl)-4-hydroxybenzoate, BUTYL 3-[(DIMETHYLAMINO)METHYL]-4-HYDROXYBENZOATE, BENZOIC ACID, 3-((DIMETHYLAMINO)METHYL)-4-HYDROXY, BUTYL ESTER, butyl 3-(dimethylaminomethyl)-4-hydroxybenzoate
| Molecular Formula | C14H21NO3 |
|---|---|
| Molecular Weight | 251.15 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 251.15215 |
| Heavy Atoms | 18 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 6279-54-5 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC(=C(C=C1)O)CN(C)C |
| InChIKey | PYUBXKHAWDQIDA-UHFFFAOYSA-N |
Product Overview
3-((Dimethylamino)methyl)-4-hydroxy butyl ester benzoic acid (CAS 6279-54-5), with molecular formula C14H21NO3 and molecular weight 251.15 g/mol. IUPAC: butyl 3-[(dimethylamino)methyl]-4-hydroxybenzoate.
Chemical Property Profile of 3-((Dimethylamino)methyl)-4-hydroxy butyl ester benzoic acid
Property Insights of 3-((Dimethylamino)methyl)-4-hydroxy butyl ester benzoic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((Dimethylamino)methyl)-4-hydroxy butyl ester benzoic acid. With a topological polar surface area (TPSA) of 49.8 Ų, 3-((Dimethylamino)methyl)-4-hydroxy butyl ester benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((Dimethylamino)methyl)-4-hydroxy butyl ester benzoic acid 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)methyl)-4-hydroxy butyl ester benzoic acid?
The CAS number of 3-((Dimethylamino)methyl)-4-hydroxy butyl ester benzoic acid is 6279-54-5.
What is the molecular formula of 3-((Dimethylamino)methyl)-4-hydroxy butyl ester benzoic acid?
The molecular formula of 3-((Dimethylamino)methyl)-4-hydroxy butyl ester benzoic acid is C14H21NO3.
What is the molecular weight of 3-((Dimethylamino)methyl)-4-hydroxy butyl ester benzoic acid?
The molecular weight of 3-((Dimethylamino)methyl)-4-hydroxy butyl ester benzoic acid is 251.15 g/mol.
Where can I buy 3-((Dimethylamino)methyl)-4-hydroxy butyl ester benzoic acid?
You can request a quote for 3-((Dimethylamino)methyl)-4-hydroxy butyl ester benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((Dimethylamino)methyl)-4-hydroxy butyl ester benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((Dimethylamino)methyl)-4-hydroxy butyl ester benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.