![2-phenyl-6,7,8,9-tetrahydrothieno[3',2':4,5]pyrimido[1,2-a]azepin-11(5H)-one structure](/static/products/4391/439125-38-9.webp)
2-phenyl-6,7,8,9-tetrahydrothieno[3',2':4,5]pyrimido[1,2-a]azepin-11(5H)-one
TL;DR: 2-phenyl-6,7,8,9-tetrahydrothieno[3',2':4,5]pyrimido[1,2-a]azepin-11(5H)-one (CAS 439125-38-9) is a chemical compound with molecular formula C17H16N2OS and molecular weight 296.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyl-4-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),5,8-trien-2-one
Also Known As: ChemDiv1_020527, AH-262/34642046, 2-phenyl-6,7,8,9-tetrahydrothieno[3',2':4,5]pyrimido[1,2-a]azepin-11(5H)-one, 2-Phenyl-6,7,8,9-tetrahydro-5H-1-thia-4,9a-diaza-cyclohepta[f]inden-10-one, 5-phenyl-4-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),5,8-trien-2-one
| Molecular Formula | C17H16N2OS |
|---|---|
| Molecular Weight | 296.10 g/mol |
| LogP | 3.8514 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 296.09833 |
| Heavy Atoms | 21 |
| Complexity | 848.3478 |
Chemical Identifiers
| CAS Number | 439125-38-9 |
|---|---|
| SMILES | C1CCC2=NC3=C(C(=O)N2CC1)SC(=C3)C4=CC=CC=C4 |
Product Overview
2-phenyl-6,7,8,9-tetrahydrothieno[3',2':4,5]pyrimido[1,2-a]azepin-11(5H)-one (CAS 439125-38-9), with molecular formula C17H16N2OS and molecular weight 296.10 g/mol. IUPAC: 5-phenyl-4-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),5,8-trien-2-one.
Chemical Property Profile of 2-phenyl-6,7,8,9-tetrahydrothieno[3',2':4,5]pyrimido[1,2-a]azepin-11(5H)-one
Property Insights of 2-phenyl-6,7,8,9-tetrahydrothieno[3',2':4,5]pyrimido[1,2-a]azepin-11(5H)-one
The XLogP value of 3.8514 indicates that 2-phenyl-6,7,8,9-tetrahydrothieno[3',2':4,5]pyrimido[1,2-a]azepin-11(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 2-phenyl-6,7,8,9-tetrahydrothieno[3',2':4,5]pyrimido[1,2-a]azepin-11(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-phenyl-6,7,8,9-tetrahydrothieno[3',2':4,5]pyrimido[1,2-a]azepin-11(5H)-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 2-phenyl-6,7,8,9-tetrahydrothieno[3',2':4,5]pyrimido[1,2-a]azepin-11(5H)-one?
The CAS number of 2-phenyl-6,7,8,9-tetrahydrothieno[3',2':4,5]pyrimido[1,2-a]azepin-11(5H)-one is 439125-38-9.
What is the molecular formula of 2-phenyl-6,7,8,9-tetrahydrothieno[3',2':4,5]pyrimido[1,2-a]azepin-11(5H)-one?
The molecular formula of 2-phenyl-6,7,8,9-tetrahydrothieno[3',2':4,5]pyrimido[1,2-a]azepin-11(5H)-one is C17H16N2OS.
What is the molecular weight of 2-phenyl-6,7,8,9-tetrahydrothieno[3',2':4,5]pyrimido[1,2-a]azepin-11(5H)-one?
The molecular weight of 2-phenyl-6,7,8,9-tetrahydrothieno[3',2':4,5]pyrimido[1,2-a]azepin-11(5H)-one is 296.10 g/mol.
Where can I buy 2-phenyl-6,7,8,9-tetrahydrothieno[3',2':4,5]pyrimido[1,2-a]azepin-11(5H)-one?
You can request a quote for 2-phenyl-6,7,8,9-tetrahydrothieno[3',2':4,5]pyrimido[1,2-a]azepin-11(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-phenyl-6,7,8,9-tetrahydrothieno[3',2':4,5]pyrimido[1,2-a]azepin-11(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-phenyl-6,7,8,9-tetrahydrothieno[3',2':4,5]pyrimido[1,2-a]azepin-11(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.