![2,3,6,7,8,9-Hexahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidin-10(1H)-imine structure](/static/products/3067/306743-03-3.webp)
2,3,6,7,8,9-Hexahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidin-10(1H)-imine
TL;DR: 2,3,6,7,8,9-Hexahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidin-10(1H)-imine (CAS 306743-03-3) is a chemical compound with molecular formula C13H15N3S and molecular weight 245.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-thia-10,15-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10-trien-16-imine
Also Known As: 2,3,6,7,8,9-Hexahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidin-10(1H)-imine, A0748/0034914, 2,3,6,7,8,9-hexahydrobenzo[4,5]thieno[2,3-d]pyrrolo[1,2-a]pyrimidin-10(1H)-imine, 2,3,6,7,8,9-Hexahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidin-10(1H)-imine #, Benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidine, 1,2,3,6,7,8,9,10-octahydro-10-imino-
| Molecular Formula | C13H15N3S |
|---|---|
| Molecular Weight | 245.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 245.09866 |
| Heavy Atoms | 17 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 306743-03-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C4CCCN4C3=N |
| InChIKey | HVQXVSIVUULKNU-UHFFFAOYSA-N |
Product Overview
2,3,6,7,8,9-Hexahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidin-10(1H)-imine (CAS 306743-03-3), with molecular formula C13H15N3S and molecular weight 245.10 g/mol. IUPAC: 8-thia-10,15-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10-trien-16-imine.
Chemical Property Profile of 2,3,6,7,8,9-Hexahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidin-10(1H)-imine
Property Insights of 2,3,6,7,8,9-Hexahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidin-10(1H)-imine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,6,7,8,9-Hexahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidin-10(1H)-imine. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,6,7,8,9-Hexahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidin-10(1H)-imine. Following Lipinski's Rule of Five, 2,3,6,7,8,9-Hexahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidin-10(1H)-imine has 1 hydrogen bond donor(s) and 3 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 2,3,6,7,8,9-Hexahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidin-10(1H)-imine?
The CAS number of 2,3,6,7,8,9-Hexahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidin-10(1H)-imine is 306743-03-3.
What is the molecular formula of 2,3,6,7,8,9-Hexahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidin-10(1H)-imine?
The molecular formula of 2,3,6,7,8,9-Hexahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidin-10(1H)-imine is C13H15N3S.
What is the molecular weight of 2,3,6,7,8,9-Hexahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidin-10(1H)-imine?
The molecular weight of 2,3,6,7,8,9-Hexahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidin-10(1H)-imine is 245.10 g/mol.
Where can I buy 2,3,6,7,8,9-Hexahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidin-10(1H)-imine?
You can request a quote for 2,3,6,7,8,9-Hexahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidin-10(1H)-imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,6,7,8,9-Hexahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidin-10(1H)-imine?
Yes, KEHONG BIO provides custom synthesis services for 2,3,6,7,8,9-Hexahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidin-10(1H)-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.