RefChem:1072515
TL;DR: RefChem:1072515 (CAS 6394-73-6) is a chemical compound with molecular formula C22H32ClNO2 and molecular weight 377.21 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)-diethylazanium chloride
Also Known As: 1-Naphthaleneacetic acid, alpha-(3-(diethylamino)propyl)-alpha-isopropyl-, hydrochloride, alpha-(3-(Diethylamino)propyl)-alpha-isopropyl-1-naphthaleneacetic acid hydrochloride, (4-carboxy-5-methyl-4-naphthalen-1-ylhexyl)-diethylazanium chloride, 1-Naphthaleneacetic acid, .alpha.-[3-(diethylamino)propyl]-.alpha.-isopropyl-, hydrochloride, 5-(Diethylamino)-2-(naphthalen-1-yl)-2-(propan-2-yl)pentanoic acid--hydrogen chloride (1/1)
| Molecular Formula | C22H32ClNO2 |
|---|---|
| Molecular Weight | 377.21 g/mol |
| LogP | 0.53 |
| Topological Polar Surface Area | 41.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 377.21216 |
| Heavy Atoms | 26 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 6394-73-6 |
|---|---|
| SMILES | CC[NH+](CC)CCCC(C1=CC=CC2=CC=CC=C21)(C(C)C)C(=O)O.[Cl-] |
| InChIKey | OANVOSXOHJHAJS-UHFFFAOYSA-N |
Product Overview
RefChem:1072515 (CAS 6394-73-6), with molecular formula C22H32ClNO2 and molecular weight 377.21 g/mol. IUPAC: (4-carboxy-5-methyl-4-naphthalen-1-ylhexyl)-diethylazanium chloride.
Chemical Property Profile of RefChem:1072515
Property Insights of RefChem:1072515
The XLogP value of 0.53 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1072515. With a topological polar surface area (TPSA) of 41.7 Ų, RefChem:1072515 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1072515 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:1072515?
The CAS number of RefChem:1072515 is 6394-73-6.
What is the molecular formula of RefChem:1072515?
The molecular formula of RefChem:1072515 is C22H32ClNO2.
What is the molecular weight of RefChem:1072515?
The molecular weight of RefChem:1072515 is 377.21 g/mol.
Where can I buy RefChem:1072515?
You can request a quote for RefChem:1072515 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1072515?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1072515 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.