![1,2,3,6,7,8,9,10-Octahydro-12H-cyclopenta[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-12-one structure](/static/products/5739/57394-70-4.webp)
1,2,3,6,7,8,9,10-Octahydro-12H-cyclopenta[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-12-one
TL;DR: 1,2,3,6,7,8,9,10-Octahydro-12H-cyclopenta[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-12-one (CAS 57394-70-4) is a chemical compound with molecular formula C14H16N2OS and molecular weight 260.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-thia-2,9-diazatetracyclo[9.6.0.03,9.012,16]heptadeca-1(11),2,12(16)-trien-10-one
Also Known As: 1,2,3,6,7,8,9,10-Octahydro-12H-cyclopenta[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-12-one, 1,2,3,11-tetrahydro-6H,7H,8H,9H,10H-azaperhydroepino[1',2'-1,2]pyrimidino[4,5- b]cyclopenta[1,2-d]thiophen-12-one, 1,2,3,6,7,8,9,10-Octahydro-12H-cyclopenta[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-12-one #, 2,3,7,8,9,10-hexahydro-1H-cyclopenta[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-12(6H)-one
| Molecular Formula | C14H16N2OS |
|---|---|
| Molecular Weight | 260.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 260.09833 |
| Heavy Atoms | 18 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 57394-70-4 |
|---|---|
| SMILES | C1CCC2=NC3=C(C4=C(S3)CCC4)C(=O)N2CC1 |
| InChIKey | HLZWGJYXRXTJKN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3,6,7,8,9,10-Octahydro-12H-cyclopenta[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-12-one (CAS 57394-70-4), with molecular formula C14H16N2OS and molecular weight 260.10 g/mol. IUPAC: 17-thia-2,9-diazatetracyclo[9.6.0.03,9.012,16]heptadeca-1(11),2,12(16)-trien-10-one.
Chemical Property Profile of 1,2,3,6,7,8,9,10-Octahydro-12H-cyclopenta[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-12-one
Property Insights of 1,2,3,6,7,8,9,10-Octahydro-12H-cyclopenta[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-12-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,6,7,8,9,10-Octahydro-12H-cyclopenta[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-12-one. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3,6,7,8,9,10-Octahydro-12H-cyclopenta[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-12-one. Following Lipinski's Rule of Five, 1,2,3,6,7,8,9,10-Octahydro-12H-cyclopenta[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-12-one has 0 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 1,2,3,6,7,8,9,10-Octahydro-12H-cyclopenta[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-12-one?
The CAS number of 1,2,3,6,7,8,9,10-Octahydro-12H-cyclopenta[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-12-one is 57394-70-4.
What is the molecular formula of 1,2,3,6,7,8,9,10-Octahydro-12H-cyclopenta[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-12-one?
The molecular formula of 1,2,3,6,7,8,9,10-Octahydro-12H-cyclopenta[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-12-one is C14H16N2OS.
What is the molecular weight of 1,2,3,6,7,8,9,10-Octahydro-12H-cyclopenta[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-12-one?
The molecular weight of 1,2,3,6,7,8,9,10-Octahydro-12H-cyclopenta[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-12-one is 260.10 g/mol.
Where can I buy 1,2,3,6,7,8,9,10-Octahydro-12H-cyclopenta[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-12-one?
You can request a quote for 1,2,3,6,7,8,9,10-Octahydro-12H-cyclopenta[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-12-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,6,7,8,9,10-Octahydro-12H-cyclopenta[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-12-one?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,6,7,8,9,10-Octahydro-12H-cyclopenta[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-12-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.