RefChem:1091597
TL;DR: RefChem:1091597 (CAS 70070-03-0) is a chemical compound with molecular formula C20H26ClNO3 and molecular weight 363.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)-dimethylazanium chloride
Also Known As: 1H-2-Benzopyran-1-methanamine, 3,4-dihydro-6,7-dimethoxy-N-methyl-N-(phenylmethyl)-, hydrochloride, 1-(N-Benzyl-N-methyl)aminomethyl-6,7-dimethoxyisochroman hydrochloride, 3,4-Dihydro-6,7-dimethoxy-N-methyl-N-(phenylmethyl)-1H-2-benzopyran-1-methanamine HCl, BENZYL-(6,7-DIMETHOXY-3,4-DIHYDRO-1H-ISOCHROMEN-1-YL)-DIMETHYLAZANIUMCHLORIDE, N-BENZYL-6,7-DIMETHOXY-N,N-DIMETHYL-3,4-DIHYDRO-1H-2-BENZOPYRAN-1-AMINIUM CHLORIDE
| Molecular Formula | C20H26ClNO3 |
|---|---|
| Molecular Weight | 363.16 g/mol |
| LogP | 0.56 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.16013 |
| Heavy Atoms | 25 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 70070-03-0 |
|---|---|
| SMILES | C[N+](C)(CC1=CC=CC=C1)C2C3=CC(=C(C=C3CCO2)OC)OC.[Cl-] |
| InChIKey | KFTNCZRZDYTHJG-UHFFFAOYSA-M |
Product Overview
RefChem:1091597 (CAS 70070-03-0), with molecular formula C20H26ClNO3 and molecular weight 363.16 g/mol. IUPAC: benzyl-(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)-dimethylazanium chloride.
Chemical Property Profile of RefChem:1091597
Property Insights of RefChem:1091597
The XLogP value of 0.56 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1091597. With a topological polar surface area (TPSA) of 27.7 Ų, RefChem:1091597 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1091597 has 0 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:1091597?
The CAS number of RefChem:1091597 is 70070-03-0.
What is the molecular formula of RefChem:1091597?
The molecular formula of RefChem:1091597 is C20H26ClNO3.
What is the molecular weight of RefChem:1091597?
The molecular weight of RefChem:1091597 is 363.16 g/mol.
Where can I buy RefChem:1091597?
You can request a quote for RefChem:1091597 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1091597?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1091597 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.