RefChem:1070592
TL;DR: RefChem:1070592 (CAS 63766-29-0) is a chemical compound with molecular formula C21H31ClN2O and molecular weight 362.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-ethoxynaphthalene-1-carboximidoyl)-bis(2-methylpropyl)azanium chloride
Also Known As: N,N-Diisobutyl-4-ethoxy-1-naphthamidine hydrochloride, 1-NAPHTHAMIDINE, N,N-DIISOBUTYL-4-ETHOXY-, HYDROCHLORIDE, (4-ethoxynaphthalene-1-carboximidoyl)-bis(2-methylpropyl)azanium chloride, 1-Naphthalenecarboximidamide, 4-ethoxy-N,N-bis(2-methylpropyl)-, monohydrochloride, 4-Ethoxy-N,N-bis(2-methylpropyl)naphthalene-1-carboximidamide--hydrogen chloride (1/1)
| Molecular Formula | C21H31ClN2O |
|---|---|
| Molecular Weight | 362.21 g/mol |
| LogP | 0.76 |
| Topological Polar Surface Area | 37.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 362.2125 |
| Heavy Atoms | 25 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 63766-29-0 |
|---|---|
| SMILES | CCOC1=CC=C(C2=CC=CC=C21)C(=N)[NH+](CC(C)C)CC(C)C.[Cl-] |
| InChIKey | PDFFEAFXKWKPDU-UHFFFAOYSA-N |
Product Overview
RefChem:1070592 (CAS 63766-29-0), with molecular formula C21H31ClN2O and molecular weight 362.21 g/mol. IUPAC: (4-ethoxynaphthalene-1-carboximidoyl)-bis(2-methylpropyl)azanium chloride.
Chemical Property Profile of RefChem:1070592
Property Insights of RefChem:1070592
The XLogP value of 0.76 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1070592. With a topological polar surface area (TPSA) of 37.5 Ų, RefChem:1070592 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1070592 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:1070592?
The CAS number of RefChem:1070592 is 63766-29-0.
What is the molecular formula of RefChem:1070592?
The molecular formula of RefChem:1070592 is C21H31ClN2O.
What is the molecular weight of RefChem:1070592?
The molecular weight of RefChem:1070592 is 362.21 g/mol.
Where can I buy RefChem:1070592?
You can request a quote for RefChem:1070592 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1070592?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1070592 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.