RefChem:1056082
TL;DR: RefChem:1056082 (CAS 64037-82-7) is a chemical compound with molecular formula C13H18ClN3O5 and molecular weight 331.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methoxy-6,8-dinitro-1,2,3,4-tetrahydronaphthalen-1-yl)-dimethylazanium chloride
Also Known As: 1-Naphthylamine, 1,2,3,4-tetrahydro-N,N-dimethyl-6,8-dinitro-5-methoxy-, hydrochloride, (5-methoxy-6,8-dinitro-1,2,3,4-tetrahydronaphthalen-1-yl)-dimethylazanium chloride, 1-Naphthylamine, N,N-dimethyl-6,8-dinitro-5-methoxy-1,2,3,4-tetrahydro-, hydrochloride, 1-Naphthalenamine, 1,2,3,4-tetrahydro-5-methoxy-N,N-dimethyl-6,8-dinitro-, monohydrochloride, RefChem:1056082
| Molecular Formula | C13H18ClN3O5 |
|---|---|
| Molecular Weight | 331.09 g/mol |
| LogP | -1.96 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.0935 |
| Heavy Atoms | 22 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 64037-82-7 |
|---|---|
| SMILES | C[NH+](C)C1CCCC2=C1C(=CC(=C2OC)[N+](=O)[O-])[N+](=O)[O-].[Cl-] |
| InChIKey | HNFGCJDTDFCKFO-UHFFFAOYSA-N |
Product Overview
RefChem:1056082 (CAS 64037-82-7), with molecular formula C13H18ClN3O5 and molecular weight 331.09 g/mol. IUPAC: (5-methoxy-6,8-dinitro-1,2,3,4-tetrahydronaphthalen-1-yl)-dimethylazanium chloride.
Chemical Property Profile of RefChem:1056082
Property Insights of RefChem:1056082
The XLogP value of -1.96 indicates that RefChem:1056082 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1056082. Following Lipinski's Rule of Five, RefChem:1056082 has 1 hydrogen bond donor(s) and 6 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:1056082?
The CAS number of RefChem:1056082 is 64037-82-7.
What is the molecular formula of RefChem:1056082?
The molecular formula of RefChem:1056082 is C13H18ClN3O5.
What is the molecular weight of RefChem:1056082?
The molecular weight of RefChem:1056082 is 331.09 g/mol.
Where can I buy RefChem:1056082?
You can request a quote for RefChem:1056082 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056082?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056082 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.