3-(azepan-1-ylcarbonyl)-7,8-dimethoxy-1H-isothiochromen-1-one
TL;DR: 3-(azepan-1-ylcarbonyl)-7,8-dimethoxy-1H-isothiochromen-1-one (CAS 627487-33-6) is a chemical compound with molecular formula C18H21NO4S and molecular weight 347.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(azepane-1-carbonyl)-7,8-dimethoxyisothiochromen-1-one
Also Known As: ChemDiv3_006642, IDI1_024552, 3-(azepan-1-ylcarbonyl)-7,8-dimethoxy-1H-isothiochromen-1-one, 3-(azepane-1-carbonyl)-7,8-dimethoxyisothiochromen-1-one, BRD-K81537253-001-01-0
| Molecular Formula | C18H21NO4S |
|---|---|
| Molecular Weight | 347.12 g/mol |
| LogP | 3.2949 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.11914 |
| Heavy Atoms | 24 |
| Complexity | 806.5063 |
Chemical Identifiers
| CAS Number | 627487-33-6 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C=C(SC2=O)C(=O)N3CCCCCC3)OC |
Product Overview
3-(azepan-1-ylcarbonyl)-7,8-dimethoxy-1H-isothiochromen-1-one (CAS 627487-33-6), with molecular formula C18H21NO4S and molecular weight 347.12 g/mol. IUPAC: 3-(azepane-1-carbonyl)-7,8-dimethoxyisothiochromen-1-one.
Chemical Property Profile of 3-(azepan-1-ylcarbonyl)-7,8-dimethoxy-1H-isothiochromen-1-one
Property Insights of 3-(azepan-1-ylcarbonyl)-7,8-dimethoxy-1H-isothiochromen-1-one
The XLogP value of 3.2949 indicates that 3-(azepan-1-ylcarbonyl)-7,8-dimethoxy-1H-isothiochromen-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, 3-(azepan-1-ylcarbonyl)-7,8-dimethoxy-1H-isothiochromen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(azepan-1-ylcarbonyl)-7,8-dimethoxy-1H-isothiochromen-1-one has 0 hydrogen bond donor(s) and 5 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 3-(azepan-1-ylcarbonyl)-7,8-dimethoxy-1H-isothiochromen-1-one?
The CAS number of 3-(azepan-1-ylcarbonyl)-7,8-dimethoxy-1H-isothiochromen-1-one is 627487-33-6.
What is the molecular formula of 3-(azepan-1-ylcarbonyl)-7,8-dimethoxy-1H-isothiochromen-1-one?
The molecular formula of 3-(azepan-1-ylcarbonyl)-7,8-dimethoxy-1H-isothiochromen-1-one is C18H21NO4S.
What is the molecular weight of 3-(azepan-1-ylcarbonyl)-7,8-dimethoxy-1H-isothiochromen-1-one?
The molecular weight of 3-(azepan-1-ylcarbonyl)-7,8-dimethoxy-1H-isothiochromen-1-one is 347.12 g/mol.
Where can I buy 3-(azepan-1-ylcarbonyl)-7,8-dimethoxy-1H-isothiochromen-1-one?
You can request a quote for 3-(azepan-1-ylcarbonyl)-7,8-dimethoxy-1H-isothiochromen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(azepan-1-ylcarbonyl)-7,8-dimethoxy-1H-isothiochromen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(azepan-1-ylcarbonyl)-7,8-dimethoxy-1H-isothiochromen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.