RefChem:1056080
TL;DR: RefChem:1056080 (CAS 64037-89-4) is a chemical compound with molecular formula C13H19ClN2O3 and molecular weight 286.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methoxy-6-nitro-1,2,3,4-tetrahydronaphthalen-1-yl)-dimethylazanium chloride
Also Known As: 1-Naphthylamine, 1,2,3,4-tetrahydro-N,N-dimethyl-5-methoxy-6-nitro-, hydrochloride, 1-Naphthylamine, N,N-dimethyl-5-methoxy-6-nitro-1,2,3,4-tetrahydro-, hydrochloride, (5-Methoxy-6-nitro-1,2,3,4-tetrahydronaphthalen-1-yl)-dimethylazaniumchloride, (5-methoxy-6-nitro-1,2,3,4-tetrahydronaphthalen-1-yl)-dimethylazanium chloride, 1-Naphthalenamine, 1,2,3,4-tetrahydro-5-methoxy-N,N-dimethyl-6-nitro-, monohydrochloride
| Molecular Formula | C13H19ClN2O3 |
|---|---|
| Molecular Weight | 286.11 g/mol |
| LogP | -1.87 |
| Topological Polar Surface Area | 59.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.10843 |
| Heavy Atoms | 19 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 64037-89-4 |
|---|---|
| SMILES | C[NH+](C)C1CCCC2=C1C=CC(=C2OC)[N+](=O)[O-].[Cl-] |
| InChIKey | YMPWIKHYIZLCPN-UHFFFAOYSA-N |
Product Overview
RefChem:1056080 (CAS 64037-89-4), with molecular formula C13H19ClN2O3 and molecular weight 286.11 g/mol. IUPAC: (5-methoxy-6-nitro-1,2,3,4-tetrahydronaphthalen-1-yl)-dimethylazanium chloride.
Chemical Property Profile of RefChem:1056080
Property Insights of RefChem:1056080
The XLogP value of -1.87 indicates that RefChem:1056080 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 59.5 Ų, RefChem:1056080 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1056080 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:1056080?
The CAS number of RefChem:1056080 is 64037-89-4.
What is the molecular formula of RefChem:1056080?
The molecular formula of RefChem:1056080 is C13H19ClN2O3.
What is the molecular weight of RefChem:1056080?
The molecular weight of RefChem:1056080 is 286.11 g/mol.
Where can I buy RefChem:1056080?
You can request a quote for RefChem:1056080 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056080?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056080 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.