2-Methyl-5,6,7,8,9,11-hexahydro(1)benzothieno(2,3-d)imidazo(1,2-a)pyrimidine
TL;DR: 2-Methyl-5,6,7,8,9,11-hexahydro(1)benzothieno(2,3-d)imidazo(1,2-a)pyrimidine (CAS 81622-92-6) 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.
13-methyl-8-thia-10,12,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),11,13-tetraene
Also Known As: methyl[?], 2-Methyl-5,6,7,8,9,11-hexahydro(1)benzothieno(2,3-d)imidazo(1,2-a)pyrimidine, 2-Methyl-5,6,7,8,9,11-hexahydro[1]benzothieno[2,3-d]imidazo[1,2-a]pyrimidine, [1]Benzothieno[2,3-d]imidazo[1,2-a]pyrimidine, 5,6,7,8,9,11-hexahydro-2-methyl-, 2-Methyl-1,5,6,7,8,9-hexahydro[1]benzothieno[2,3-d]imidazo[1,2-a]pyrimidine
| Molecular Formula | C13H15N3S |
|---|---|
| Molecular Weight | 245.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 58.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 245.09866 |
| Heavy Atoms | 17 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 81622-92-6 |
|---|---|
| SMILES | CC1=CN2CC3=C(NC2=N1)SC4=C3CCCC4 |
| InChIKey | XEACFKMRYIASEC-UHFFFAOYSA-N |
Product Overview
2-Methyl-5,6,7,8,9,11-hexahydro(1)benzothieno(2,3-d)imidazo(1,2-a)pyrimidine (CAS 81622-92-6), with molecular formula C13H15N3S and molecular weight 245.10 g/mol. IUPAC: 13-methyl-8-thia-10,12,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),11,13-tetraene.
Chemical Property Profile of 2-Methyl-5,6,7,8,9,11-hexahydro(1)benzothieno(2,3-d)imidazo(1,2-a)pyrimidine
Property Insights of 2-Methyl-5,6,7,8,9,11-hexahydro(1)benzothieno(2,3-d)imidazo(1,2-a)pyrimidine
The XLogP value of 3.2 indicates that 2-Methyl-5,6,7,8,9,11-hexahydro(1)benzothieno(2,3-d)imidazo(1,2-a)pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.1 Ų, 2-Methyl-5,6,7,8,9,11-hexahydro(1)benzothieno(2,3-d)imidazo(1,2-a)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-5,6,7,8,9,11-hexahydro(1)benzothieno(2,3-d)imidazo(1,2-a)pyrimidine 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-Methyl-5,6,7,8,9,11-hexahydro(1)benzothieno(2,3-d)imidazo(1,2-a)pyrimidine?
The CAS number of 2-Methyl-5,6,7,8,9,11-hexahydro(1)benzothieno(2,3-d)imidazo(1,2-a)pyrimidine is 81622-92-6.
What is the molecular formula of 2-Methyl-5,6,7,8,9,11-hexahydro(1)benzothieno(2,3-d)imidazo(1,2-a)pyrimidine?
The molecular formula of 2-Methyl-5,6,7,8,9,11-hexahydro(1)benzothieno(2,3-d)imidazo(1,2-a)pyrimidine is C13H15N3S.
What is the molecular weight of 2-Methyl-5,6,7,8,9,11-hexahydro(1)benzothieno(2,3-d)imidazo(1,2-a)pyrimidine?
The molecular weight of 2-Methyl-5,6,7,8,9,11-hexahydro(1)benzothieno(2,3-d)imidazo(1,2-a)pyrimidine is 245.10 g/mol.
Where can I buy 2-Methyl-5,6,7,8,9,11-hexahydro(1)benzothieno(2,3-d)imidazo(1,2-a)pyrimidine?
You can request a quote for 2-Methyl-5,6,7,8,9,11-hexahydro(1)benzothieno(2,3-d)imidazo(1,2-a)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-5,6,7,8,9,11-hexahydro(1)benzothieno(2,3-d)imidazo(1,2-a)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-5,6,7,8,9,11-hexahydro(1)benzothieno(2,3-d)imidazo(1,2-a)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.