RefChem:1072529
TL;DR: RefChem:1072529 (CAS 6733-67-1) is a chemical compound with molecular formula C20H28ClNO2 and molecular weight 349.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-carboxy-5-methyl-4-naphthalen-1-ylhexyl)-dimethylazanium chloride
Also Known As: 1-Naphthaleneacetic acid, alpha-(3-(dimethylamino)propyl)-alpha-isopropyl-, hydrochloride, alpha-(3-(Dimethylamino)propyl)-alpha-isopropyl-1-naphthaleneacetic acid hydrochloride, (4-carboxy-5-methyl-4-naphthalen-1-ylhexyl)-dimethylazanium chloride, 1-Naphthaleneacetic acid, .alpha.-[3-(dimethylene)propyl]-.alpha.-(1-methylethyl)-, hydrochloride, 5-(Dimethylamino)-2-(naphthalen-1-yl)-2-(propan-2-yl)pentanoic acid--hydrogen chloride (1/1)
| Molecular Formula | C20H28ClNO2 |
|---|---|
| Molecular Weight | 349.18 g/mol |
| LogP | -0.25 |
| Topological Polar Surface Area | 41.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 349.18085 |
| Heavy Atoms | 24 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 6733-67-1 |
|---|---|
| SMILES | CC(C)C(CCC[NH+](C)C)(C1=CC=CC2=CC=CC=C21)C(=O)O.[Cl-] |
| InChIKey | QCLRJCJGNAQPSJ-UHFFFAOYSA-N |
Product Overview
RefChem:1072529 (CAS 6733-67-1), with molecular formula C20H28ClNO2 and molecular weight 349.18 g/mol. IUPAC: (4-carboxy-5-methyl-4-naphthalen-1-ylhexyl)-dimethylazanium chloride.
Chemical Property Profile of RefChem:1072529
Property Insights of RefChem:1072529
The XLogP value of -0.25 indicates that RefChem:1072529 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 41.7 Ų, RefChem:1072529 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1072529 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:1072529?
The CAS number of RefChem:1072529 is 6733-67-1.
What is the molecular formula of RefChem:1072529?
The molecular formula of RefChem:1072529 is C20H28ClNO2.
What is the molecular weight of RefChem:1072529?
The molecular weight of RefChem:1072529 is 349.18 g/mol.
Where can I buy RefChem:1072529?
You can request a quote for RefChem:1072529 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1072529?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1072529 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.