RefChem:1066572
TL;DR: RefChem:1066572 (CAS 67032-00-2) is a chemical compound with molecular formula C24H32ClNO3 and molecular weight 417.21 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-(2-phenylethoxy)benzoate chloride
Also Known As: p-Phenethyloxybenzoic acid 3-(2-methylpiperidino)propyl ester hydrochloride, BENZOIC ACID, p-PHENETHYLOXY-, 3-(2-METHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE, 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-phenethyloxybenzoate chloride, 3-(2-Methylpiperidin-1-yl)propyl 4-(2-phenylethoxy)benzoate--hydrogen chloride (1/1), Benzoic acid, 4-(2-phenylethoxy)-, 3-(2-methyl-1-piperidinyl)propyl ester, hydrochloride
| Molecular Formula | C24H32ClNO3 |
|---|---|
| Molecular Weight | 417.21 g/mol |
| LogP | 0.32 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 417.20706 |
| Heavy Atoms | 29 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 67032-00-2 |
|---|---|
| SMILES | CC1CCCC[NH+]1CCCOC(=O)C2=CC=C(C=C2)OCCC3=CC=CC=C3.[Cl-] |
| InChIKey | CIOAIWMQORCKKW-UHFFFAOYSA-N |
Product Overview
RefChem:1066572 (CAS 67032-00-2), with molecular formula C24H32ClNO3 and molecular weight 417.21 g/mol. IUPAC: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-(2-phenylethoxy)benzoate chloride.
Chemical Property Profile of RefChem:1066572
Property Insights of RefChem:1066572
The XLogP value of 0.32 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1066572. With a topological polar surface area (TPSA) of 40.0 Ų, RefChem:1066572 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1066572 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:1066572?
The CAS number of RefChem:1066572 is 67032-00-2.
What is the molecular formula of RefChem:1066572?
The molecular formula of RefChem:1066572 is C24H32ClNO3.
What is the molecular weight of RefChem:1066572?
The molecular weight of RefChem:1066572 is 417.21 g/mol.
Where can I buy RefChem:1066572?
You can request a quote for RefChem:1066572 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1066572?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1066572 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.