4-(3-Piperidin-1-yl-propionylamino)-benzoic acid methyl ester
TL;DR: 4-(3-Piperidin-1-yl-propionylamino)-benzoic acid methyl ester (CAS 473707-60-7) is a chemical compound with molecular formula C16H23ClN2O3 and molecular weight 326.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3-piperidin-1-ylpropanoylamino)benzoate;hydrochloride
Also Known As: methyl 4-(3-piperidylpropanoylamino)benzoate, chloride, 4-(3-Piperidin-1-yl-propionylamino)-benzoic acid methyl ester, methyl 4-(3-(piperidin-1-yl)propanamido)benzoate hydrochloride, methyl 4-(3-piperidin-1-ylpropanoylamino)benzoate hydrochloride, REGID_for_CID_6603373
| Molecular Formula | C16H23ClN2O3 |
|---|---|
| Molecular Weight | 326.14 g/mol |
| LogP | 2.7095 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.1397 |
| Heavy Atoms | 22 |
| Complexity | 484.66922 |
Chemical Identifiers
| CAS Number | 473707-60-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CCN2CCCCC2.Cl |
Product Overview
4-(3-Piperidin-1-yl-propionylamino)-benzoic acid methyl ester (CAS 473707-60-7), with molecular formula C16H23ClN2O3 and molecular weight 326.14 g/mol. IUPAC: methyl 4-(3-piperidin-1-ylpropanoylamino)benzoate;hydrochloride.
Chemical Property Profile of 4-(3-Piperidin-1-yl-propionylamino)-benzoic acid methyl ester
Property Insights of 4-(3-Piperidin-1-yl-propionylamino)-benzoic acid methyl ester
The XLogP value of 2.7095 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Piperidin-1-yl-propionylamino)-benzoic acid methyl ester. With a topological polar surface area (TPSA) of 58.64 Ų, 4-(3-Piperidin-1-yl-propionylamino)-benzoic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Piperidin-1-yl-propionylamino)-benzoic acid methyl ester 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 4-(3-Piperidin-1-yl-propionylamino)-benzoic acid methyl ester?
The CAS number of 4-(3-Piperidin-1-yl-propionylamino)-benzoic acid methyl ester is 473707-60-7.
What is the molecular formula of 4-(3-Piperidin-1-yl-propionylamino)-benzoic acid methyl ester?
The molecular formula of 4-(3-Piperidin-1-yl-propionylamino)-benzoic acid methyl ester is C16H23ClN2O3.
What is the molecular weight of 4-(3-Piperidin-1-yl-propionylamino)-benzoic acid methyl ester?
The molecular weight of 4-(3-Piperidin-1-yl-propionylamino)-benzoic acid methyl ester is 326.14 g/mol.
Where can I buy 4-(3-Piperidin-1-yl-propionylamino)-benzoic acid methyl ester?
You can request a quote for 4-(3-Piperidin-1-yl-propionylamino)-benzoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Piperidin-1-yl-propionylamino)-benzoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Piperidin-1-yl-propionylamino)-benzoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.