RefChem:290381
TL;DR: RefChem:290381 (CAS 69766-24-1) is a chemical compound with molecular formula C23H30ClNO3 and molecular weight 403.19 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-(4-methoxyphenyl)benzoate chloride
Also Known As: 4-Biphenylcarboxylic acid, 4'-methoxy-, 3-(2-methylpiperidino)propyl ester, hydrochloride, 4'-Methoxy-4-biphenylcarboxylic acid, 3-(2-methylpiperidino)propyl ester, hydrochloride, 3-(2-Methylpiperidin-1-ium-1-yl)propyl 4-(4-methoxyphenyl)benzoatechloride, 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-(4-methoxyphenyl)benzoate chloride, 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-(4-methoxyphenyl)benzoate,chloride
| Molecular Formula | C23H30ClNO3 |
|---|---|
| Molecular Weight | 403.19 g/mol |
| LogP | 0.37 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 403.1914 |
| Heavy Atoms | 28 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 69766-24-1 |
|---|---|
| SMILES | CC1CCCC[NH+]1CCCOC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OC.[Cl-] |
| InChIKey | TZYRJXZWCDZCNG-UHFFFAOYSA-N |
Product Overview
RefChem:290381 (CAS 69766-24-1), with molecular formula C23H30ClNO3 and molecular weight 403.19 g/mol. IUPAC: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-(4-methoxyphenyl)benzoate chloride.
Chemical Property Profile of RefChem:290381
Property Insights of RefChem:290381
The XLogP value of 0.37 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:290381. With a topological polar surface area (TPSA) of 40.0 Ų, RefChem:290381 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:290381 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:290381?
The CAS number of RefChem:290381 is 69766-24-1.
What is the molecular formula of RefChem:290381?
The molecular formula of RefChem:290381 is C23H30ClNO3.
What is the molecular weight of RefChem:290381?
The molecular weight of RefChem:290381 is 403.19 g/mol.
Where can I buy RefChem:290381?
You can request a quote for RefChem:290381 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:290381?
Yes, KEHONG BIO provides custom synthesis services for RefChem:290381 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.