8,9-Dimethoxy-1,2,3,4,5-benzopentathiepin-6-ethanamine
TL;DR: 8,9-Dimethoxy-1,2,3,4,5-benzopentathiepin-6-ethanamine (CAS 134029-48-4) is a chemical compound with molecular formula C10H13NO2S5 and molecular weight 338.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6,7-dimethoxy-1,2,3,4,5-benzopentathiepin-9-yl)ethanamine
Also Known As: VARACIN, Varacine, barazi n, 6-Benzopentathiepinethanamine, 8,9-dimethoxy-, 2-(6,7-dimethoxy-1,2,3,4,5-benzopentathiepin-9-yl)ethanamine
| Molecular Formula | C10H13NO2S5 |
|---|---|
| Molecular Weight | 338.95 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.955 |
| Heavy Atoms | 18 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 134029-48-4 |
|---|---|
| SMILES | COC1=C(C2=C(C(=C1)CCN)SSSSS2)OC |
| InChIKey | HIKCOAGMCNIBMP-UHFFFAOYSA-N |
Product Overview
8,9-Dimethoxy-1,2,3,4,5-benzopentathiepin-6-ethanamine (CAS 134029-48-4), with molecular formula C10H13NO2S5 and molecular weight 338.95 g/mol. IUPAC: 2-(6,7-dimethoxy-1,2,3,4,5-benzopentathiepin-9-yl)ethanamine.
Chemical Property Profile of 8,9-Dimethoxy-1,2,3,4,5-benzopentathiepin-6-ethanamine
Property Insights of 8,9-Dimethoxy-1,2,3,4,5-benzopentathiepin-6-ethanamine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8,9-Dimethoxy-1,2,3,4,5-benzopentathiepin-6-ethanamine. The TPSA of 171.0 Ų indicates high polarity, suggesting 8,9-Dimethoxy-1,2,3,4,5-benzopentathiepin-6-ethanamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 8,9-Dimethoxy-1,2,3,4,5-benzopentathiepin-6-ethanamine has 1 hydrogen bond donor(s) and 8 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 8,9-Dimethoxy-1,2,3,4,5-benzopentathiepin-6-ethanamine?
The CAS number of 8,9-Dimethoxy-1,2,3,4,5-benzopentathiepin-6-ethanamine is 134029-48-4.
What is the molecular formula of 8,9-Dimethoxy-1,2,3,4,5-benzopentathiepin-6-ethanamine?
The molecular formula of 8,9-Dimethoxy-1,2,3,4,5-benzopentathiepin-6-ethanamine is C10H13NO2S5.
What is the molecular weight of 8,9-Dimethoxy-1,2,3,4,5-benzopentathiepin-6-ethanamine?
The molecular weight of 8,9-Dimethoxy-1,2,3,4,5-benzopentathiepin-6-ethanamine is 338.95 g/mol.
Where can I buy 8,9-Dimethoxy-1,2,3,4,5-benzopentathiepin-6-ethanamine?
You can request a quote for 8,9-Dimethoxy-1,2,3,4,5-benzopentathiepin-6-ethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8,9-Dimethoxy-1,2,3,4,5-benzopentathiepin-6-ethanamine?
Yes, KEHONG BIO provides custom synthesis services for 8,9-Dimethoxy-1,2,3,4,5-benzopentathiepin-6-ethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.