3-(2-Methylpiperidin-1-yl)propyl 2-phenylbutanoate--hydrogen chloride (1/1)
TL;DR: 3-(2-Methylpiperidin-1-yl)propyl 2-phenylbutanoate--hydrogen chloride (1/1) (CAS 66859-51-6) is a chemical compound with molecular formula C19H30ClNO2 and molecular weight 339.20 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 2-phenylbutanoate chloride
Also Known As: 2-Phenylbutyric acid 3-(2-methylpiperidino)propyl ester hydrochloride, 3-(2-methylpiperidin-1-ium-1-yl)propyl 2-phenylbutanoate chloride, BUTYRIC ACID, 2-PHENYL-, 3-(2-METHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE, 3-(2-Methylpiperidin-1-yl)propyl 2-phenylbutanoate--hydrogen chloride (1/1), Benzeneacetic acid, .alpha.-ethyl-, 3-(2-methyl-1-piperidinyl)propyl ester, hydrochloride
| Molecular Formula | C19H30ClNO2 |
|---|---|
| Molecular Weight | 339.20 g/mol |
| LogP | -0.43 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 339.1965 |
| Heavy Atoms | 23 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 66859-51-6 |
|---|---|
| SMILES | CCC(C1=CC=CC=C1)C(=O)OCCC[NH+]2CCCCC2C.[Cl-] |
| InChIKey | QEMYOWURCCUCSP-UHFFFAOYSA-N |
Product Overview
3-(2-Methylpiperidin-1-yl)propyl 2-phenylbutanoate--hydrogen chloride (1/1) (CAS 66859-51-6), with molecular formula C19H30ClNO2 and molecular weight 339.20 g/mol. IUPAC: 3-(2-methylpiperidin-1-ium-1-yl)propyl 2-phenylbutanoate chloride.
Chemical Property Profile of 3-(2-Methylpiperidin-1-yl)propyl 2-phenylbutanoate--hydrogen chloride (1/1)
Property Insights of 3-(2-Methylpiperidin-1-yl)propyl 2-phenylbutanoate--hydrogen chloride (1/1)
The XLogP value of -0.43 indicates that 3-(2-Methylpiperidin-1-yl)propyl 2-phenylbutanoate--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, 3-(2-Methylpiperidin-1-yl)propyl 2-phenylbutanoate--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 2-phenylbutanoate--hydrogen chloride (1/1) has 1 hydrogen bond donor(s) and 3 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 2-phenylbutanoate--hydrogen chloride (1/1)?
The CAS number of 3-(2-Methylpiperidin-1-yl)propyl 2-phenylbutanoate--hydrogen chloride (1/1) is 66859-51-6.
What is the molecular formula of 3-(2-Methylpiperidin-1-yl)propyl 2-phenylbutanoate--hydrogen chloride (1/1)?
The molecular formula of 3-(2-Methylpiperidin-1-yl)propyl 2-phenylbutanoate--hydrogen chloride (1/1) is C19H30ClNO2.
What is the molecular weight of 3-(2-Methylpiperidin-1-yl)propyl 2-phenylbutanoate--hydrogen chloride (1/1)?
The molecular weight of 3-(2-Methylpiperidin-1-yl)propyl 2-phenylbutanoate--hydrogen chloride (1/1) is 339.20 g/mol.
Where can I buy 3-(2-Methylpiperidin-1-yl)propyl 2-phenylbutanoate--hydrogen chloride (1/1)?
You can request a quote for 3-(2-Methylpiperidin-1-yl)propyl 2-phenylbutanoate--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 2-phenylbutanoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Methylpiperidin-1-yl)propyl 2-phenylbutanoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.