RefChem:1066427
TL;DR: RefChem:1066427 (CAS 67032-07-9) is a chemical compound with molecular formula C18H28ClNO3 and molecular weight 341.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4,6-trimethylpiperidin-1-ium-1-yl)propyl 2-hydroxybenzoate chloride
Also Known As: Benzoic acid, o-hydroxy-, 3-(2,4,6-trimethylpiperidino)propyl ester, hydrochloride, 3-(2,4,6-trimethylpiperidin-1-ium-1-yl)propyl 2-hydroxybenzoate chloride, o-Hydroxybenzoic acid 3-(2,4,6-trimethylpiperidino)propyl ester hydrochloride, 3-(2,4,6-Trimethylpiperidin-1-yl)propyl 2-hydroxybenzoate--hydrogen chloride (1/1), Benzoic acid, 2-hydroxy-, 3-(2,4,6-trimethyl-1-piperidinyl)propyl ester, hydrochloride
| Molecular Formula | C18H28ClNO3 |
|---|---|
| Molecular Weight | 341.18 g/mol |
| LogP | -0.97 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 341.17578 |
| Heavy Atoms | 23 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 67032-07-9 |
|---|---|
| SMILES | CC1CC([NH+](C(C1)C)CCCOC(=O)C2=CC=CC=C2O)C.[Cl-] |
| InChIKey | CNBJWXXSAPJRFH-UHFFFAOYSA-N |
Product Overview
RefChem:1066427 (CAS 67032-07-9), with molecular formula C18H28ClNO3 and molecular weight 341.18 g/mol. IUPAC: 3-(2,4,6-trimethylpiperidin-1-ium-1-yl)propyl 2-hydroxybenzoate chloride.
Chemical Property Profile of RefChem:1066427
Property Insights of RefChem:1066427
The XLogP value of -0.97 indicates that RefChem:1066427 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 51.0 Ų, RefChem:1066427 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1066427 has 2 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:1066427?
The CAS number of RefChem:1066427 is 67032-07-9.
What is the molecular formula of RefChem:1066427?
The molecular formula of RefChem:1066427 is C18H28ClNO3.
What is the molecular weight of RefChem:1066427?
The molecular weight of RefChem:1066427 is 341.18 g/mol.
Where can I buy RefChem:1066427?
You can request a quote for RefChem:1066427 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1066427?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1066427 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.