RefChem:1079307
TL;DR: RefChem:1079307 (CAS 31823-18-4) is a chemical compound with molecular formula C20H23ClN2O3 and molecular weight 374.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzoyl-1-methylpiperidin-1-ium-3-yl) 4-aminobenzoate chloride
Also Known As: (+-)-1-Methyl-3-benzoyl-(p-aminobenzoyloxy)piperidine hydrochloride, Benzoic acid, p-amino-, ester with 3-hydroxy-1-methyl-3-piperidyl phenyl ketone, monohydrochloride, (+-)-, (3-benzoyl-1-methylpiperidin-1-ium-3-yl) 4-aminobenzoate chloride, (3-Benzoyl-1-methylpiperidin-1-ium-3-yl)4-aminobenzoate chloride, BENZOIC ACID, p-AMINO-, ESTER with 3-HYDROXY-1-METHYL-3-PIPERIDYL PHENYL KETONE,
| Molecular Formula | C20H23ClN2O3 |
|---|---|
| Molecular Weight | 374.14 g/mol |
| LogP | -1.64 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.1397 |
| Heavy Atoms | 26 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 31823-18-4 |
|---|---|
| SMILES | C[NH+]1CCCC(C1)(C(=O)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)N.[Cl-] |
| InChIKey | VETOIGICEIOTIS-UHFFFAOYSA-N |
Product Overview
RefChem:1079307 (CAS 31823-18-4), with molecular formula C20H23ClN2O3 and molecular weight 374.14 g/mol. IUPAC: (3-benzoyl-1-methylpiperidin-1-ium-3-yl) 4-aminobenzoate chloride.
Chemical Property Profile of RefChem:1079307
Property Insights of RefChem:1079307
The XLogP value of -1.64 indicates that RefChem:1079307 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1079307. Following Lipinski's Rule of Five, RefChem:1079307 has 2 hydrogen bond donor(s) and 5 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 RefChem:1079307?
The CAS number of RefChem:1079307 is 31823-18-4.
What is the molecular formula of RefChem:1079307?
The molecular formula of RefChem:1079307 is C20H23ClN2O3.
What is the molecular weight of RefChem:1079307?
The molecular weight of RefChem:1079307 is 374.14 g/mol.
Where can I buy RefChem:1079307?
You can request a quote for RefChem:1079307 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1079307?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1079307 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.