RefChem:1066447
TL;DR: RefChem:1066447 (CAS 67049-49-4) is a chemical compound with molecular formula C23H38ClNO3 and molecular weight 411.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl 4-hexoxybenzoate chloride
Also Known As: p-Hexyloxybenzoic acid 3-(2,6-dimethylpiperidino)propyl ester hydrochloride, BENZOIC ACID, p-HEXYLOXY-, 3-(2,6-DIMETHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE, 3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl 4-hexoxybenzoate chloride, 3-(2,6-Dimethylpiperidin-1-yl)propyl 4-(hexyloxy)benzoate--hydrogen chloride (1/1), Benzoic acid, 4-(hexyloxy)-, 3-(2,6-dimethyl-1-piperidinyl)propyl ester, hydrochloride
| Molecular Formula | C23H38ClNO3 |
|---|---|
| Molecular Weight | 411.25 g/mol |
| LogP | 1.04 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 411.25403 |
| Heavy Atoms | 28 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 67049-49-4 |
|---|---|
| SMILES | CCCCCCOC1=CC=C(C=C1)C(=O)OCCC[NH+]2C(CCCC2C)C.[Cl-] |
| InChIKey | KHIXPLNSPBXQAX-UHFFFAOYSA-N |
Product Overview
RefChem:1066447 (CAS 67049-49-4), with molecular formula C23H38ClNO3 and molecular weight 411.25 g/mol. IUPAC: 3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl 4-hexoxybenzoate chloride.
Chemical Property Profile of RefChem:1066447
Property Insights of RefChem:1066447
The XLogP value of 1.04 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1066447. With a topological polar surface area (TPSA) of 40.0 Ų, RefChem:1066447 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1066447 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:1066447?
The CAS number of RefChem:1066447 is 67049-49-4.
What is the molecular formula of RefChem:1066447?
The molecular formula of RefChem:1066447 is C23H38ClNO3.
What is the molecular weight of RefChem:1066447?
The molecular weight of RefChem:1066447 is 411.25 g/mol.
Where can I buy RefChem:1066447?
You can request a quote for RefChem:1066447 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1066447?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1066447 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.