(1)Benzothieno(2,3-f)-1,4-thiazepin-5(2H)-one, 3,4-dihydro-9-methoxy-
TL;DR: (1)Benzothieno(2,3-f)-1,4-thiazepin-5(2H)-one, 3,4-dihydro-9-methoxy- (CAS 172832-10-9) is a chemical compound with molecular formula C12H11NO2S2 and molecular weight 265.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-methoxy-3,4-dihydro-2H-[1]benzothiolo[2,3-f][1,4]thiazepin-5-one
Also Known As: (1)Benzothieno(2,3-f)-1,4-thiazepin-5(2H)-one, 3,4-dihydro-9-methoxy-, 9-methoxy-3,4-dihydro-2H-[1]benzothiolo[2,3-f][1,4]thiazepin-5-one, J1.804.910D, 2,3-Dihydro-9-methoxybenzo(b)thieno(2,3-f)-1,4-thiazepin-5-one, 2,3-Dihydro-9-methoxy[1]benzothieno[2,3-f]-1,4-thiazepin-5(4H)-one
| Molecular Formula | C12H11NO2S2 |
|---|---|
| Molecular Weight | 265.02 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 265.02313 |
| Heavy Atoms | 17 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 172832-10-9 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)SC3=C2SCCNC3=O |
| InChIKey | KGMSYXGSYGEHIS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1)Benzothieno(2,3-f)-1,4-thiazepin-5(2H)-one, 3,4-dihydro-9-methoxy- (CAS 172832-10-9), with molecular formula C12H11NO2S2 and molecular weight 265.02 g/mol. IUPAC: 9-methoxy-3,4-dihydro-2H-[1]benzothiolo[2,3-f][1,4]thiazepin-5-one.
Chemical Property Profile of (1)Benzothieno(2,3-f)-1,4-thiazepin-5(2H)-one, 3,4-dihydro-9-methoxy-
Property Insights of (1)Benzothieno(2,3-f)-1,4-thiazepin-5(2H)-one, 3,4-dihydro-9-methoxy-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1)Benzothieno(2,3-f)-1,4-thiazepin-5(2H)-one, 3,4-dihydro-9-methoxy-. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (1)Benzothieno(2,3-f)-1,4-thiazepin-5(2H)-one, 3,4-dihydro-9-methoxy-. Following Lipinski's Rule of Five, (1)Benzothieno(2,3-f)-1,4-thiazepin-5(2H)-one, 3,4-dihydro-9-methoxy- has 1 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 (1)Benzothieno(2,3-f)-1,4-thiazepin-5(2H)-one, 3,4-dihydro-9-methoxy-?
The CAS number of (1)Benzothieno(2,3-f)-1,4-thiazepin-5(2H)-one, 3,4-dihydro-9-methoxy- is 172832-10-9.
What is the molecular formula of (1)Benzothieno(2,3-f)-1,4-thiazepin-5(2H)-one, 3,4-dihydro-9-methoxy-?
The molecular formula of (1)Benzothieno(2,3-f)-1,4-thiazepin-5(2H)-one, 3,4-dihydro-9-methoxy- is C12H11NO2S2.
What is the molecular weight of (1)Benzothieno(2,3-f)-1,4-thiazepin-5(2H)-one, 3,4-dihydro-9-methoxy-?
The molecular weight of (1)Benzothieno(2,3-f)-1,4-thiazepin-5(2H)-one, 3,4-dihydro-9-methoxy- is 265.02 g/mol.
Where can I buy (1)Benzothieno(2,3-f)-1,4-thiazepin-5(2H)-one, 3,4-dihydro-9-methoxy-?
You can request a quote for (1)Benzothieno(2,3-f)-1,4-thiazepin-5(2H)-one, 3,4-dihydro-9-methoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1)Benzothieno(2,3-f)-1,4-thiazepin-5(2H)-one, 3,4-dihydro-9-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for (1)Benzothieno(2,3-f)-1,4-thiazepin-5(2H)-one, 3,4-dihydro-9-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.