![2,3-Dimethyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one structure](/static/products/3290/329059-82-7.webp)
2,3-Dimethyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one
TL;DR: 2,3-Dimethyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one (CAS 329059-82-7) is a chemical compound with molecular formula C13H16N2OS and molecular weight 248.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethyl-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-trien-2-one
Also Known As: BAS 01022407, 2,3-Dimethyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one, AH-262/32338039, BRD-K52792869-001-07-9, 2,3-Dimethyl-6,7,8,9-tetrahydro-5H-1-thia-4a,10-diaza-cyclohepta[f]inden-4-one
| Molecular Formula | C13H16N2OS |
|---|---|
| Molecular Weight | 248.10 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 | 248.09833 |
| Heavy Atoms | 17 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 329059-82-7 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N3CCCCCC3=N2)C |
| InChIKey | SPFVRIGOQYHRIH-UHFFFAOYSA-N |
Product Overview
2,3-Dimethyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one (CAS 329059-82-7), with molecular formula C13H16N2OS and molecular weight 248.10 g/mol. IUPAC: 4,5-dimethyl-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-trien-2-one.
Chemical Property Profile of 2,3-Dimethyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one
Property Insights of 2,3-Dimethyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dimethyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dimethyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one. Following Lipinski's Rule of Five, 2,3-Dimethyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-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 2,3-Dimethyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one?
The CAS number of 2,3-Dimethyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one is 329059-82-7.
What is the molecular formula of 2,3-Dimethyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one?
The molecular formula of 2,3-Dimethyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one is C13H16N2OS.
What is the molecular weight of 2,3-Dimethyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one?
The molecular weight of 2,3-Dimethyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one is 248.10 g/mol.
Where can I buy 2,3-Dimethyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one?
You can request a quote for 2,3-Dimethyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dimethyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dimethyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.