![1,2,3,8-Tetrahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidine-6,10(7H,9H)-dione 6-oxime structure](/static/products/3891/389138-36-7.webp)
1,2,3,8-Tetrahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidine-6,10(7H,9H)-dione 6-oxime
TL;DR: 1,2,3,8-Tetrahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidine-6,10(7H,9H)-dione 6-oxime (CAS 389138-36-7) is a chemical compound with molecular formula C13H13N3O2S and molecular weight 275.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxyimino-8-thia-10,15-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10-trien-16-one
Also Known As: 1,2,3,8-Tetrahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidine-6,10(7H,9H)-dione 6-oxime, 6-(Hydroxyimino)-2,3,6,7,8,9-hexahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidin-10(1H)-one
| Molecular Formula | C13H13N3O2S |
|---|---|
| Molecular Weight | 275.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 275.07285 |
| Heavy Atoms | 19 |
| Complexity | 490.0 |
Chemical Identifiers
| CAS Number | 389138-36-7 |
|---|---|
| SMILES | C1CC2=C(C(=NO)C1)SC3=C2C(=O)N4CCCC4=N3 |
| InChIKey | RACZVSRZBDKDOQ-UHFFFAOYSA-N |
Product Overview
1,2,3,8-Tetrahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidine-6,10(7H,9H)-dione 6-oxime (CAS 389138-36-7), with molecular formula C13H13N3O2S and molecular weight 275.07 g/mol. IUPAC: 6-hydroxyimino-8-thia-10,15-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10-trien-16-one.
Chemical Property Profile of 1,2,3,8-Tetrahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidine-6,10(7H,9H)-dione 6-oxime
Property Insights of 1,2,3,8-Tetrahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidine-6,10(7H,9H)-dione 6-oxime
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,8-Tetrahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidine-6,10(7H,9H)-dione 6-oxime. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3,8-Tetrahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidine-6,10(7H,9H)-dione 6-oxime. Following Lipinski's Rule of Five, 1,2,3,8-Tetrahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidine-6,10(7H,9H)-dione 6-oxime has 1 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 1,2,3,8-Tetrahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidine-6,10(7H,9H)-dione 6-oxime?
The CAS number of 1,2,3,8-Tetrahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidine-6,10(7H,9H)-dione 6-oxime is 389138-36-7.
What is the molecular formula of 1,2,3,8-Tetrahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidine-6,10(7H,9H)-dione 6-oxime?
The molecular formula of 1,2,3,8-Tetrahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidine-6,10(7H,9H)-dione 6-oxime is C13H13N3O2S.
What is the molecular weight of 1,2,3,8-Tetrahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidine-6,10(7H,9H)-dione 6-oxime?
The molecular weight of 1,2,3,8-Tetrahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidine-6,10(7H,9H)-dione 6-oxime is 275.07 g/mol.
Where can I buy 1,2,3,8-Tetrahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidine-6,10(7H,9H)-dione 6-oxime?
You can request a quote for 1,2,3,8-Tetrahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidine-6,10(7H,9H)-dione 6-oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,8-Tetrahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidine-6,10(7H,9H)-dione 6-oxime?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,8-Tetrahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidine-6,10(7H,9H)-dione 6-oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.