![2,2-dimethyl-5-(2-methylphenyl)-4,8-dioxo-1,3,4,5,7,8,10,11,12,13-decahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile structure](/static/products/3092/309276-56-0.webp)
2,2-dimethyl-5-(2-methylphenyl)-4,8-dioxo-1,3,4,5,7,8,10,11,12,13-decahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile
TL;DR: 2,2-dimethyl-5-(2-methylphenyl)-4,8-dioxo-1,3,4,5,7,8,10,11,12,13-decahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile (CAS 309276-56-0) is a chemical compound with molecular formula C29H29N3O2S and molecular weight 483.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-9-(2-methylphenyl)-7,13-dioxo-22-thia-2,12-diazapentacyclo[12.8.0.02,11.03,8.015,21]docosa-1(14),3(8),10,15(21)-tetraene-10-carbonitrile
Also Known As: 2,2-dimethyl-5-(2-methylphenyl)-4,8-dioxo-1,3,4,5,7,8,10,11,12,13-decahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile, A2120/0089007, 2,2-dimethyl-4,8-dioxo-5-(o-tolyl)-1,2,3,4,5,7,8,9,10,11,12,13-dodecahydrocyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile, 2,2-DIMETHYL-5-(2-METHYLPHENYL)-4,8-DIOXO-1,3,4,5,7,8,10,11,12,13-DECAHYDRO-2H,9H-CYCLOHEPTA[4',5']THIENO[3',2':5,6]PYRIMIDO[1,2-A]QUINOLIN-6-YL CYANIDE, 5,5-dimethyl-9-(2-methylphenyl)-7,13-dioxo-22-thia-2,12-diazapentacyclo[12.8.0.02,11.03,8.015,21]docosa-1(14),3(8),10,15(21)-tetraene-10-carbonitrile
| Molecular Formula | C29H29N3O2S |
|---|---|
| Molecular Weight | 483.20 g/mol |
| LogP | 6.051 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 483.19806 |
| Heavy Atoms | 35 |
| Complexity | 1401.359 |
Chemical Identifiers
| CAS Number | 309276-56-0 |
|---|---|
| SMILES | CC1=CC=CC=C1C2C(=C3NC(=O)C4=C(N3C5=C2C(=O)CC(C5)(C)C)SC6=C4CCCCC6)C#N |
Product Overview
2,2-dimethyl-5-(2-methylphenyl)-4,8-dioxo-1,3,4,5,7,8,10,11,12,13-decahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile (CAS 309276-56-0), with molecular formula C29H29N3O2S and molecular weight 483.20 g/mol. IUPAC: 5,5-dimethyl-9-(2-methylphenyl)-7,13-dioxo-22-thia-2,12-diazapentacyclo[12.8.0.02,11.03,8.015,21]docosa-1(14),3(8),10,15(21)-tetraene-10-carbonitrile.
Chemical Property Profile of 2,2-dimethyl-5-(2-methylphenyl)-4,8-dioxo-1,3,4,5,7,8,10,11,12,13-decahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile
Property Insights of 2,2-dimethyl-5-(2-methylphenyl)-4,8-dioxo-1,3,4,5,7,8,10,11,12,13-decahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile
The XLogP value of 6.051 indicates that 2,2-dimethyl-5-(2-methylphenyl)-4,8-dioxo-1,3,4,5,7,8,10,11,12,13-decahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-dimethyl-5-(2-methylphenyl)-4,8-dioxo-1,3,4,5,7,8,10,11,12,13-decahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile. Following Lipinski's Rule of Five, 2,2-dimethyl-5-(2-methylphenyl)-4,8-dioxo-1,3,4,5,7,8,10,11,12,13-decahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2-dimethyl-5-(2-methylphenyl)-4,8-dioxo-1,3,4,5,7,8,10,11,12,13-decahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile?
The CAS number of 2,2-dimethyl-5-(2-methylphenyl)-4,8-dioxo-1,3,4,5,7,8,10,11,12,13-decahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile is 309276-56-0.
What is the molecular formula of 2,2-dimethyl-5-(2-methylphenyl)-4,8-dioxo-1,3,4,5,7,8,10,11,12,13-decahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile?
The molecular formula of 2,2-dimethyl-5-(2-methylphenyl)-4,8-dioxo-1,3,4,5,7,8,10,11,12,13-decahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile is C29H29N3O2S.
What is the molecular weight of 2,2-dimethyl-5-(2-methylphenyl)-4,8-dioxo-1,3,4,5,7,8,10,11,12,13-decahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile?
The molecular weight of 2,2-dimethyl-5-(2-methylphenyl)-4,8-dioxo-1,3,4,5,7,8,10,11,12,13-decahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile is 483.20 g/mol.
Where can I buy 2,2-dimethyl-5-(2-methylphenyl)-4,8-dioxo-1,3,4,5,7,8,10,11,12,13-decahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile?
You can request a quote for 2,2-dimethyl-5-(2-methylphenyl)-4,8-dioxo-1,3,4,5,7,8,10,11,12,13-decahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-dimethyl-5-(2-methylphenyl)-4,8-dioxo-1,3,4,5,7,8,10,11,12,13-decahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,2-dimethyl-5-(2-methylphenyl)-4,8-dioxo-1,3,4,5,7,8,10,11,12,13-decahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.