RefChem:327803
TL;DR: RefChem:327803 (CAS 67032-22-8) is a chemical compound with molecular formula C22H36ClNO3 and molecular weight 397.24 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-hexan-2-yloxybenzoate chloride
Also Known As: Benzoic acid, p-(1-methylpentoxy)-, 3-(2-methylpiperidino)propyl ester, hydrochloride, p-(1-Methylpentoxy)benzoic acid 3-(2-methylpiperidino)propyl ester hydrochloride, 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-hexan-2-yloxybenzoate chloride, Benzoic acid, 4-[(1-methylpentyl)oxy]-, 3-(2-methyl-1-piperidinyl)propyl ester, hydrochloride, RefChem:327803
| Molecular Formula | C22H36ClNO3 |
|---|---|
| Molecular Weight | 397.24 g/mol |
| LogP | 0.65 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 397.23837 |
| Heavy Atoms | 27 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 67032-22-8 |
|---|---|
| SMILES | CCCCC(C)OC1=CC=C(C=C1)C(=O)OCCC[NH+]2CCCCC2C.[Cl-] |
| InChIKey | FWKRNPJZWDBVBF-UHFFFAOYSA-N |
Product Overview
RefChem:327803 (CAS 67032-22-8), with molecular formula C22H36ClNO3 and molecular weight 397.24 g/mol. IUPAC: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-hexan-2-yloxybenzoate chloride.
Chemical Property Profile of RefChem:327803
Property Insights of RefChem:327803
The XLogP value of 0.65 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:327803. With a topological polar surface area (TPSA) of 40.0 Ų, RefChem:327803 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:327803 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 RefChem:327803?
The CAS number of RefChem:327803 is 67032-22-8.
What is the molecular formula of RefChem:327803?
The molecular formula of RefChem:327803 is C22H36ClNO3.
What is the molecular weight of RefChem:327803?
The molecular weight of RefChem:327803 is 397.24 g/mol.
Where can I buy RefChem:327803?
You can request a quote for RefChem:327803 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:327803?
Yes, KEHONG BIO provides custom synthesis services for RefChem:327803 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.