7,8-dimethoxy-3,4-dihydro-1-benzothiepin-5(2H)-one
TL;DR: 7,8-dimethoxy-3,4-dihydro-1-benzothiepin-5(2H)-one (CAS 60169-43-9) is a chemical compound with molecular formula C12H14O3S and molecular weight 238.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,8-dimethoxy-3,4-dihydro-2H-1-benzothiepin-5-one
Also Known As: 7,8-dimethoxy-2,3,4,5-tetrahydro-1-benzothiepin-5-one, 7,8-dimethoxy-3,4-dihydro-1-benzothiepin-5(2H)-one, 9,10-dimethoxy-6-thiabicyclo[5.4.0]undeca-7,9,11-trien-2-one
| Molecular Formula | C12H14O3S |
|---|---|
| Molecular Weight | 238.07 g/mol |
| LogP | 2.7724 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.06636 |
| Heavy Atoms | 16 |
| Complexity | 414.97006 |
Chemical Identifiers
| CAS Number | 60169-43-9 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=O)CCCS2)OC |
Product Overview
7,8-dimethoxy-3,4-dihydro-1-benzothiepin-5(2H)-one (CAS 60169-43-9), with molecular formula C12H14O3S and molecular weight 238.07 g/mol. IUPAC: 7,8-dimethoxy-3,4-dihydro-2H-1-benzothiepin-5-one.
Chemical Property Profile of 7,8-dimethoxy-3,4-dihydro-1-benzothiepin-5(2H)-one
Property Insights of 7,8-dimethoxy-3,4-dihydro-1-benzothiepin-5(2H)-one
The XLogP value of 2.7724 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,8-dimethoxy-3,4-dihydro-1-benzothiepin-5(2H)-one. With a topological polar surface area (TPSA) of 35.53 Ų, 7,8-dimethoxy-3,4-dihydro-1-benzothiepin-5(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7,8-dimethoxy-3,4-dihydro-1-benzothiepin-5(2H)-one 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 7,8-dimethoxy-3,4-dihydro-1-benzothiepin-5(2H)-one?
The CAS number of 7,8-dimethoxy-3,4-dihydro-1-benzothiepin-5(2H)-one is 60169-43-9.
What is the molecular formula of 7,8-dimethoxy-3,4-dihydro-1-benzothiepin-5(2H)-one?
The molecular formula of 7,8-dimethoxy-3,4-dihydro-1-benzothiepin-5(2H)-one is C12H14O3S.
What is the molecular weight of 7,8-dimethoxy-3,4-dihydro-1-benzothiepin-5(2H)-one?
The molecular weight of 7,8-dimethoxy-3,4-dihydro-1-benzothiepin-5(2H)-one is 238.07 g/mol.
Where can I buy 7,8-dimethoxy-3,4-dihydro-1-benzothiepin-5(2H)-one?
You can request a quote for 7,8-dimethoxy-3,4-dihydro-1-benzothiepin-5(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,8-dimethoxy-3,4-dihydro-1-benzothiepin-5(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7,8-dimethoxy-3,4-dihydro-1-benzothiepin-5(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.