3-Amino-4-(4-methylpiperidin-1-yl)benzoic acid
TL;DR: 3-Amino-4-(4-methylpiperidin-1-yl)benzoic acid (CAS 842965-30-4) is a chemical compound with molecular formula C13H18N2O2 and molecular weight 234.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-(4-methylpiperidin-1-yl)benzoic acid
Also Known As: 3-amino-4-(4-methylpiperidin-1-yl)benzoic acid, 3-Amino-4-(4-methyl-piperidin-1-yl)-benzoic acid, 7-(Methylthio)xanthone-3-carboxamide, BAS 05307648, 3-amino-4-(4-methylpiperidino)benzoic acid
| Molecular Formula | C13H18N2O2 |
|---|---|
| Molecular Weight | 234.14 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.13683 |
| Heavy Atoms | 17 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 842965-30-4 |
|---|---|
| SMILES | CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)N |
| InChIKey | ZKGWKGQECYCNOZ-UHFFFAOYSA-N |
Product Overview
3-Amino-4-(4-methylpiperidin-1-yl)benzoic acid (CAS 842965-30-4), with molecular formula C13H18N2O2 and molecular weight 234.14 g/mol. IUPAC: 3-amino-4-(4-methylpiperidin-1-yl)benzoic acid.
Chemical Property Profile of 3-Amino-4-(4-methylpiperidin-1-yl)benzoic acid
Property Insights of 3-Amino-4-(4-methylpiperidin-1-yl)benzoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-4-(4-methylpiperidin-1-yl)benzoic acid. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-4-(4-methylpiperidin-1-yl)benzoic acid. Following Lipinski's Rule of Five, 3-Amino-4-(4-methylpiperidin-1-yl)benzoic acid has 2 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-Amino-4-(4-methylpiperidin-1-yl)benzoic acid?
The CAS number of 3-Amino-4-(4-methylpiperidin-1-yl)benzoic acid is 842965-30-4.
What is the molecular formula of 3-Amino-4-(4-methylpiperidin-1-yl)benzoic acid?
The molecular formula of 3-Amino-4-(4-methylpiperidin-1-yl)benzoic acid is C13H18N2O2.
What is the molecular weight of 3-Amino-4-(4-methylpiperidin-1-yl)benzoic acid?
The molecular weight of 3-Amino-4-(4-methylpiperidin-1-yl)benzoic acid is 234.14 g/mol.
Where can I buy 3-Amino-4-(4-methylpiperidin-1-yl)benzoic acid?
You can request a quote for 3-Amino-4-(4-methylpiperidin-1-yl)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-Amino-4-(4-methylpiperidin-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-4-(4-methylpiperidin-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.