RefChem:232209
TL;DR: RefChem:232209 (CAS 6491-85-6) is a chemical compound with molecular formula C21H30ClNO2 and molecular weight 363.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-carboxy-4-methyl-3-naphthalen-1-ylpentyl)-diethylazanium chloride
Also Known As: 1-Naphthaleneacetic acid, alpha-(2-(diethylamino)ethyl)-alpha-isopropyl-, hydrochloride, alpha-Isopropyl-alpha-2-diethylaminoethyl-1-naphthylacetic acid hydrochloride, (3-carboxy-4-methyl-3-naphthalen-1-ylpentyl)-diethylazanium chloride, RefChem:232209
| Molecular Formula | C21H30ClNO2 |
|---|---|
| Molecular Weight | 363.20 g/mol |
| LogP | 0.14 |
| Topological Polar Surface Area | 41.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 363.1965 |
| Heavy Atoms | 25 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 6491-85-6 |
|---|---|
| SMILES | CC[NH+](CC)CCC(C1=CC=CC2=CC=CC=C21)(C(C)C)C(=O)O.[Cl-] |
| InChIKey | JVKIKFSOROSXSA-UHFFFAOYSA-N |
Product Overview
RefChem:232209 (CAS 6491-85-6), with molecular formula C21H30ClNO2 and molecular weight 363.20 g/mol. IUPAC: (3-carboxy-4-methyl-3-naphthalen-1-ylpentyl)-diethylazanium chloride.
Chemical Property Profile of RefChem:232209
Property Insights of RefChem:232209
The XLogP value of 0.14 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:232209. With a topological polar surface area (TPSA) of 41.7 Ų, RefChem:232209 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:232209 has 2 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:232209?
The CAS number of RefChem:232209 is 6491-85-6.
What is the molecular formula of RefChem:232209?
The molecular formula of RefChem:232209 is C21H30ClNO2.
What is the molecular weight of RefChem:232209?
The molecular weight of RefChem:232209 is 363.20 g/mol.
Where can I buy RefChem:232209?
You can request a quote for RefChem:232209 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:232209?
Yes, KEHONG BIO provides custom synthesis services for RefChem:232209 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.