10,11-Dimethoxy-1,2,3,4,4a,11b-hexahydrodibenzo(b,d)thiepin-7(6H)-one
TL;DR: 10,11-Dimethoxy-1,2,3,4,4a,11b-hexahydrodibenzo(b,d)thiepin-7(6H)-one (CAS 3626-13-9) is a chemical compound with molecular formula C16H20O3S and molecular weight 292.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10,11-dimethoxy-1,2,3,4,4a,11b-hexahydrobenzo[d][1]benzothiepin-7-one
Also Known As: 10,11-Dimethoxy-1,2,3,4,4a,11b-hexahydrodibenzo(b,d)thiepin-7(6H)-one, 4-methyl-5-oxo-hexanoic acid methyl ester, 10,11-dimethoxy-1,2,3,4,4a,11b-hexahydrobenzo[d][1]benzothiepin-7-one, 10,11-Dimethoxy-1,2,3,4,4a,11b-hexahydrodibenzo[b,d]thiepin-7(6H)-one, 10,11-dimethoxy-1,2,3,4,4a,11b-hexahydrobenzo[d][1]benzothie
| Molecular Formula | C16H20O3S |
|---|---|
| Molecular Weight | 292.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.1133 |
| Heavy Atoms | 20 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 3626-13-9 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C(=O)CSC3C2CCCC3)OC |
| InChIKey | HIGXJWNBEAVHPT-UHFFFAOYSA-N |
Product Overview
10,11-Dimethoxy-1,2,3,4,4a,11b-hexahydrodibenzo(b,d)thiepin-7(6H)-one (CAS 3626-13-9), with molecular formula C16H20O3S and molecular weight 292.11 g/mol. IUPAC: 10,11-dimethoxy-1,2,3,4,4a,11b-hexahydrobenzo[d][1]benzothiepin-7-one.
Chemical Property Profile of 10,11-Dimethoxy-1,2,3,4,4a,11b-hexahydrodibenzo(b,d)thiepin-7(6H)-one
Property Insights of 10,11-Dimethoxy-1,2,3,4,4a,11b-hexahydrodibenzo(b,d)thiepin-7(6H)-one
The XLogP value of 3.6 indicates that 10,11-Dimethoxy-1,2,3,4,4a,11b-hexahydrodibenzo(b,d)thiepin-7(6H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 10,11-Dimethoxy-1,2,3,4,4a,11b-hexahydrodibenzo(b,d)thiepin-7(6H)-one. Following Lipinski's Rule of Five, 10,11-Dimethoxy-1,2,3,4,4a,11b-hexahydrodibenzo(b,d)thiepin-7(6H)-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 10,11-Dimethoxy-1,2,3,4,4a,11b-hexahydrodibenzo(b,d)thiepin-7(6H)-one?
The CAS number of 10,11-Dimethoxy-1,2,3,4,4a,11b-hexahydrodibenzo(b,d)thiepin-7(6H)-one is 3626-13-9.
What is the molecular formula of 10,11-Dimethoxy-1,2,3,4,4a,11b-hexahydrodibenzo(b,d)thiepin-7(6H)-one?
The molecular formula of 10,11-Dimethoxy-1,2,3,4,4a,11b-hexahydrodibenzo(b,d)thiepin-7(6H)-one is C16H20O3S.
What is the molecular weight of 10,11-Dimethoxy-1,2,3,4,4a,11b-hexahydrodibenzo(b,d)thiepin-7(6H)-one?
The molecular weight of 10,11-Dimethoxy-1,2,3,4,4a,11b-hexahydrodibenzo(b,d)thiepin-7(6H)-one is 292.11 g/mol.
Where can I buy 10,11-Dimethoxy-1,2,3,4,4a,11b-hexahydrodibenzo(b,d)thiepin-7(6H)-one?
You can request a quote for 10,11-Dimethoxy-1,2,3,4,4a,11b-hexahydrodibenzo(b,d)thiepin-7(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10,11-Dimethoxy-1,2,3,4,4a,11b-hexahydrodibenzo(b,d)thiepin-7(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 10,11-Dimethoxy-1,2,3,4,4a,11b-hexahydrodibenzo(b,d)thiepin-7(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.