RefChem:327911
TL;DR: RefChem:327911 (CAS 69780-78-5) is a chemical compound with molecular formula C18H27ClN2O4 and molecular weight 370.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[3-(4-aminobenzoyl)oxypropyl]piperidin-1-ium-3-carboxylate chloride
Also Known As: p-Aminobenzoic acid 3-(3-ethoxycarbonylpiperidino)propyl ester hydrochloride, gamma-3-Carbethoxypiperidinopropyl-p-aminobenzoate hydrochloride, Benzoic acid, p-amino-, 3-(3-ethoxycarbonylpiperidino)propyl ester, hydrochloride, 3-Piperidinecarboxylic acid, 1-(3-hydroxypropyl)-, ethyl ester, p-aminobenzoate (ester), ethyl 1-[3-(4-aminobenzoyl)oxypropyl]piperidin-1-ium-3-carboxylate chloride
| Molecular Formula | C18H27ClN2O4 |
|---|---|
| Molecular Weight | 370.17 g/mol |
| LogP | -2.32 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 370.16592 |
| Heavy Atoms | 25 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 69780-78-5 |
|---|---|
| SMILES | CCOC(=O)C1CCC[NH+](C1)CCCOC(=O)C2=CC=C(C=C2)N.[Cl-] |
| InChIKey | HNRLIGXELGJNDJ-UHFFFAOYSA-N |
Product Overview
RefChem:327911 (CAS 69780-78-5), with molecular formula C18H27ClN2O4 and molecular weight 370.17 g/mol. IUPAC: ethyl 1-[3-(4-aminobenzoyl)oxypropyl]piperidin-1-ium-3-carboxylate chloride.
Chemical Property Profile of RefChem:327911
Property Insights of RefChem:327911
The XLogP value of -2.32 indicates that RefChem:327911 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:327911. Following Lipinski's Rule of Five, RefChem:327911 has 2 hydrogen bond donor(s) and 6 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:327911?
The CAS number of RefChem:327911 is 69780-78-5.
What is the molecular formula of RefChem:327911?
The molecular formula of RefChem:327911 is C18H27ClN2O4.
What is the molecular weight of RefChem:327911?
The molecular weight of RefChem:327911 is 370.17 g/mol.
Where can I buy RefChem:327911?
You can request a quote for RefChem:327911 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:327911?
Yes, KEHONG BIO provides custom synthesis services for RefChem:327911 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.