RefChem:1066581
TL;DR: RefChem:1066581 (CAS 67032-14-8) 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 4-propan-2-ylbenzoate chloride
Also Known As: p-Isopropylbenzoic acid 3-(2-methylpiperidino)propyl ester hydrochloride, BENZOIC ACID, p-ISOPROPYL-, 3-(2-METHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE, 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-propan-2-ylbenzoate chloride, 3-(2-Methylpiperidin-1-yl)propyl 4-(propan-2-yl)benzoate--hydrogen chloride (1/1), Benzoic acid, 4-(1-methylethyl)-, 3-(2-methyl-1-piperidinyl)propyl ester, hydrochloride
| Molecular Formula | C19H30ClNO2 |
|---|---|
| Molecular Weight | 339.20 g/mol |
| LogP | -0.18 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 339.1965 |
| Heavy Atoms | 23 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 67032-14-8 |
|---|---|
| SMILES | CC1CCCC[NH+]1CCCOC(=O)C2=CC=C(C=C2)C(C)C.[Cl-] |
| InChIKey | ZYCGECLGFWSYOG-UHFFFAOYSA-N |
Product Overview
RefChem:1066581 (CAS 67032-14-8), with molecular formula C19H30ClNO2 and molecular weight 339.20 g/mol. IUPAC: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-propan-2-ylbenzoate chloride.
Chemical Property Profile of RefChem:1066581
Property Insights of RefChem:1066581
The XLogP value of -0.18 indicates that RefChem:1066581 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, RefChem:1066581 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1066581 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 RefChem:1066581?
The CAS number of RefChem:1066581 is 67032-14-8.
What is the molecular formula of RefChem:1066581?
The molecular formula of RefChem:1066581 is C19H30ClNO2.
What is the molecular weight of RefChem:1066581?
The molecular weight of RefChem:1066581 is 339.20 g/mol.
Where can I buy RefChem:1066581?
You can request a quote for RefChem:1066581 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1066581?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1066581 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.