![2-methyl-2,3,6,7,8,9-hexahydro-benzo[4,5]thieno[2,3-d]thiazo structure](/static/products/5288/52881-31-9.webp)
2-methyl-2,3,6,7,8,9-hexahydro-benzo[4,5]thieno[2,3-d]thiazo
TL;DR: 2-methyl-2,3,6,7,8,9-hexahydro-benzo[4,5]thieno[2,3-d]thiazo (CAS 52881-31-9) is a chemical compound with molecular formula C13H14N2OS2 and molecular weight 278.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-methyl-8,12-dithia-10,15-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10-trien-16-one
Also Known As: 2-methyl-2,3,6,7,8,9-hexahydro-benzo[4,5]thieno[2,3-d]thiazo, 13-Methyl-8,12-dithia-10,15-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10-trien-16-one, 2-Methyl-2,3,6,7,8,9-hexahydro-5H-[1]benzothieno[2,3-d][1,3]thiazolo[3,2-a]pyrimidin-5-one, 2-methyl-4,6,7,8,9-pentahydro-2H,3H-benzo[b]thiopheno[2,3-d]1,3-thiazolidino[3 ,2-a]pyrimidin-5-one
| Molecular Formula | C13H14N2OS2 |
|---|---|
| Molecular Weight | 278.05 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 86.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 278.05475 |
| Heavy Atoms | 18 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 52881-31-9 |
|---|---|
| SMILES | CC1CN2C(=O)C3=C(N=C2S1)SC4=C3CCCC4 |
| InChIKey | AGHVRPBAUBGGEI-UHFFFAOYSA-N |
Product Overview
2-methyl-2,3,6,7,8,9-hexahydro-benzo[4,5]thieno[2,3-d]thiazo (CAS 52881-31-9), with molecular formula C13H14N2OS2 and molecular weight 278.05 g/mol. IUPAC: 13-methyl-8,12-dithia-10,15-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10-trien-16-one.
Chemical Property Profile of 2-methyl-2,3,6,7,8,9-hexahydro-benzo[4,5]thieno[2,3-d]thiazo
Property Insights of 2-methyl-2,3,6,7,8,9-hexahydro-benzo[4,5]thieno[2,3-d]thiazo
The XLogP value of 3.3 indicates that 2-methyl-2,3,6,7,8,9-hexahydro-benzo[4,5]thieno[2,3-d]thiazo is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-2,3,6,7,8,9-hexahydro-benzo[4,5]thieno[2,3-d]thiazo. Following Lipinski's Rule of Five, 2-methyl-2,3,6,7,8,9-hexahydro-benzo[4,5]thieno[2,3-d]thiazo 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 2-methyl-2,3,6,7,8,9-hexahydro-benzo[4,5]thieno[2,3-d]thiazo?
The CAS number of 2-methyl-2,3,6,7,8,9-hexahydro-benzo[4,5]thieno[2,3-d]thiazo is 52881-31-9.
What is the molecular formula of 2-methyl-2,3,6,7,8,9-hexahydro-benzo[4,5]thieno[2,3-d]thiazo?
The molecular formula of 2-methyl-2,3,6,7,8,9-hexahydro-benzo[4,5]thieno[2,3-d]thiazo is C13H14N2OS2.
What is the molecular weight of 2-methyl-2,3,6,7,8,9-hexahydro-benzo[4,5]thieno[2,3-d]thiazo?
The molecular weight of 2-methyl-2,3,6,7,8,9-hexahydro-benzo[4,5]thieno[2,3-d]thiazo is 278.05 g/mol.
Where can I buy 2-methyl-2,3,6,7,8,9-hexahydro-benzo[4,5]thieno[2,3-d]thiazo?
You can request a quote for 2-methyl-2,3,6,7,8,9-hexahydro-benzo[4,5]thieno[2,3-d]thiazo directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-2,3,6,7,8,9-hexahydro-benzo[4,5]thieno[2,3-d]thiazo?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-2,3,6,7,8,9-hexahydro-benzo[4,5]thieno[2,3-d]thiazo and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.