Benzoic acid, p-isopentoxy-, 3-(2-methylpiperidino)propyl ester, hydrochloride
TL;DR: Benzoic acid, p-isopentoxy-, 3-(2-methylpiperidino)propyl ester, hydrochloride (CAS 67032-11-5) is a chemical compound with molecular formula C21H34ClNO3 and molecular weight 383.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylpiperidin-1-ium-1-yl)propyl 4-(3-methylbutoxy)benzoate chloride
Also Known As: p-Isopentoxybenzoic acid 3-(2-methylpiperidino)propyl ester, hydrochloride, BENZOIC ACID, p-ISOPENTOXY-, 3-(2-METHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE, 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-(3-methylbutoxy)benzoate chloride, Benzoic acid, 4-(3-methylbutoxy)-, 3-(2-methyl-1-piperidinyl)propyl ester, hydrochloride, RefChem:1079323
| Molecular Formula | C21H34ClNO3 |
|---|---|
| Molecular Weight | 383.22 g/mol |
| LogP | 0.12 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 383.22272 |
| Heavy Atoms | 26 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 67032-11-5 |
|---|---|
| SMILES | CC1CCCC[NH+]1CCCOC(=O)C2=CC=C(C=C2)OCCC(C)C.[Cl-] |
| InChIKey | JIAZWGCNPXWBLA-UHFFFAOYSA-N |
Product Overview
Benzoic acid, p-isopentoxy-, 3-(2-methylpiperidino)propyl ester, hydrochloride (CAS 67032-11-5), with molecular formula C21H34ClNO3 and molecular weight 383.22 g/mol. IUPAC: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-(3-methylbutoxy)benzoate chloride.
Chemical Property Profile of Benzoic acid, p-isopentoxy-, 3-(2-methylpiperidino)propyl ester, hydrochloride
Property Insights of Benzoic acid, p-isopentoxy-, 3-(2-methylpiperidino)propyl ester, hydrochloride
The XLogP value of 0.12 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, p-isopentoxy-, 3-(2-methylpiperidino)propyl ester, hydrochloride. With a topological polar surface area (TPSA) of 40.0 Ų, Benzoic acid, p-isopentoxy-, 3-(2-methylpiperidino)propyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, p-isopentoxy-, 3-(2-methylpiperidino)propyl ester, hydrochloride 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 Benzoic acid, p-isopentoxy-, 3-(2-methylpiperidino)propyl ester, hydrochloride?
The CAS number of Benzoic acid, p-isopentoxy-, 3-(2-methylpiperidino)propyl ester, hydrochloride is 67032-11-5.
What is the molecular formula of Benzoic acid, p-isopentoxy-, 3-(2-methylpiperidino)propyl ester, hydrochloride?
The molecular formula of Benzoic acid, p-isopentoxy-, 3-(2-methylpiperidino)propyl ester, hydrochloride is C21H34ClNO3.
What is the molecular weight of Benzoic acid, p-isopentoxy-, 3-(2-methylpiperidino)propyl ester, hydrochloride?
The molecular weight of Benzoic acid, p-isopentoxy-, 3-(2-methylpiperidino)propyl ester, hydrochloride is 383.22 g/mol.
Where can I buy Benzoic acid, p-isopentoxy-, 3-(2-methylpiperidino)propyl ester, hydrochloride?
You can request a quote for Benzoic acid, p-isopentoxy-, 3-(2-methylpiperidino)propyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, p-isopentoxy-, 3-(2-methylpiperidino)propyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-isopentoxy-, 3-(2-methylpiperidino)propyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.