3-(2-Methylpiperidin-1-yl)propyl 4-phenoxybenzoate--hydrogen chloride (1/1)
TL;DR: 3-(2-Methylpiperidin-1-yl)propyl 4-phenoxybenzoate--hydrogen chloride (1/1) (CAS 67031-66-7) is a chemical compound with molecular formula C22H28ClNO3 and molecular weight 389.18 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-phenoxybenzoate chloride
Also Known As: p-Phenoxybenzoic acid 3-(2-methylpiperidino)propyl ester hydrochloride, BENZOIC ACID, p-PHENOXY-, 3-(2-METHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE, 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-phenoxybenzoate chloride, 3-(2-Methylpiperidin-1-yl)propyl 4-phenoxybenzoate--hydrogen chloride (1/1), Benzoic acid, 4-phenoxy-, 3-(2-methyl-1-piperidinyl)propyl ester, hydrochloride
| Molecular Formula | C22H28ClNO3 |
|---|---|
| Molecular Weight | 389.18 g/mol |
| LogP | 0.49 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 389.17578 |
| Heavy Atoms | 27 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 67031-66-7 |
|---|---|
| SMILES | CC1CCCC[NH+]1CCCOC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3.[Cl-] |
| InChIKey | YZUVHOBGEOSTLE-UHFFFAOYSA-N |
Product Overview
3-(2-Methylpiperidin-1-yl)propyl 4-phenoxybenzoate--hydrogen chloride (1/1) (CAS 67031-66-7), with molecular formula C22H28ClNO3 and molecular weight 389.18 g/mol. IUPAC: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-phenoxybenzoate chloride.
Chemical Property Profile of 3-(2-Methylpiperidin-1-yl)propyl 4-phenoxybenzoate--hydrogen chloride (1/1)
Property Insights of 3-(2-Methylpiperidin-1-yl)propyl 4-phenoxybenzoate--hydrogen chloride (1/1)
The XLogP value of 0.49 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Methylpiperidin-1-yl)propyl 4-phenoxybenzoate--hydrogen chloride (1/1). With a topological polar surface area (TPSA) of 40.0 Ų, 3-(2-Methylpiperidin-1-yl)propyl 4-phenoxybenzoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Methylpiperidin-1-yl)propyl 4-phenoxybenzoate--hydrogen chloride (1/1) 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 3-(2-Methylpiperidin-1-yl)propyl 4-phenoxybenzoate--hydrogen chloride (1/1)?
The CAS number of 3-(2-Methylpiperidin-1-yl)propyl 4-phenoxybenzoate--hydrogen chloride (1/1) is 67031-66-7.
What is the molecular formula of 3-(2-Methylpiperidin-1-yl)propyl 4-phenoxybenzoate--hydrogen chloride (1/1)?
The molecular formula of 3-(2-Methylpiperidin-1-yl)propyl 4-phenoxybenzoate--hydrogen chloride (1/1) is C22H28ClNO3.
What is the molecular weight of 3-(2-Methylpiperidin-1-yl)propyl 4-phenoxybenzoate--hydrogen chloride (1/1)?
The molecular weight of 3-(2-Methylpiperidin-1-yl)propyl 4-phenoxybenzoate--hydrogen chloride (1/1) is 389.18 g/mol.
Where can I buy 3-(2-Methylpiperidin-1-yl)propyl 4-phenoxybenzoate--hydrogen chloride (1/1)?
You can request a quote for 3-(2-Methylpiperidin-1-yl)propyl 4-phenoxybenzoate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Methylpiperidin-1-yl)propyl 4-phenoxybenzoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Methylpiperidin-1-yl)propyl 4-phenoxybenzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.