Benzoic acid, p-phenoxy-, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride
TL;DR: Benzoic acid, p-phenoxy-, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride (CAS 67048-35-5) is a chemical compound with molecular formula C23H30ClNO3 and molecular weight 403.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl 4-phenoxybenzoate chloride
Also Known As: p-Phenoxybenzoic acid 3-(2,6-dimethylpiperidino)propyl ester hydrochloride, BENZOIC ACID, p-PHENOXY-, 3-(2,6-DIMETHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE, 3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl 4-phenoxybenzoate chloride, Benzoic acid, 4-phenoxy-, 3-(2,6-dimethyl-1-piperidinyl)propyl ester, hydrochloride, RefChem:1079329
| Molecular Formula | C23H30ClNO3 |
|---|---|
| Molecular Weight | 403.19 g/mol |
| LogP | 0.88 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 403.1914 |
| Heavy Atoms | 28 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 67048-35-5 |
|---|---|
| SMILES | CC1CCCC([NH+]1CCCOC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)C.[Cl-] |
| InChIKey | UEMWGDFDYNQCSZ-UHFFFAOYSA-N |
Product Overview
Benzoic acid, p-phenoxy-, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride (CAS 67048-35-5), with molecular formula C23H30ClNO3 and molecular weight 403.19 g/mol. IUPAC: 3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl 4-phenoxybenzoate chloride.
Chemical Property Profile of Benzoic acid, p-phenoxy-, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride
Property Insights of Benzoic acid, p-phenoxy-, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride
The XLogP value of 0.88 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, p-phenoxy-, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride. With a topological polar surface area (TPSA) of 40.0 Ų, Benzoic acid, p-phenoxy-, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, p-phenoxy-, 3-(2,6-dimethylpiperidino)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-phenoxy-, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride?
The CAS number of Benzoic acid, p-phenoxy-, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride is 67048-35-5.
What is the molecular formula of Benzoic acid, p-phenoxy-, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride?
The molecular formula of Benzoic acid, p-phenoxy-, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride is C23H30ClNO3.
What is the molecular weight of Benzoic acid, p-phenoxy-, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride?
The molecular weight of Benzoic acid, p-phenoxy-, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride is 403.19 g/mol.
Where can I buy Benzoic acid, p-phenoxy-, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride?
You can request a quote for Benzoic acid, p-phenoxy-, 3-(2,6-dimethylpiperidino)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-phenoxy-, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-phenoxy-, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.