![1,3-dimethyl-5-(thiophen-2-yl)-5,5a-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione structure](/static/products/3140/314039-48-0.webp)
1,3-dimethyl-5-(thiophen-2-yl)-5,5a-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione
TL;DR: 1,3-dimethyl-5-(thiophen-2-yl)-5,5a-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione (CAS 314039-48-0) is a chemical compound with molecular formula C20H15N3O3S and molecular weight 377.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dimethyl-2-thiophen-2-yl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3(8),9,11,13,15-pentaene-4,6,17-trione
Also Known As: 1,3-dimethyl-5-(thiophen-2-yl)-5,5a-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione, AB00100168-01
| Molecular Formula | C20H15N3O3S |
|---|---|
| Molecular Weight | 377.08 g/mol |
| LogP | 2.2243 |
| Topological Polar Surface Area | 73.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 377.0834 |
| Heavy Atoms | 27 |
| Complexity | 1264.6095 |
Chemical Identifiers
| CAS Number | 314039-48-0 |
|---|---|
| SMILES | CN1C2=C(C(C3C(=N2)C4=CC=CC=C4C3=O)C5=CC=CS5)C(=O)N(C1=O)C |
Product Overview
1,3-dimethyl-5-(thiophen-2-yl)-5,5a-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione (CAS 314039-48-0), with molecular formula C20H15N3O3S and molecular weight 377.08 g/mol. IUPAC: 5,7-dimethyl-2-thiophen-2-yl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3(8),9,11,13,15-pentaene-4,6,17-trione.
Chemical Property Profile of 1,3-dimethyl-5-(thiophen-2-yl)-5,5a-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione
Property Insights of 1,3-dimethyl-5-(thiophen-2-yl)-5,5a-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione
The XLogP value of 2.2243 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl-5-(thiophen-2-yl)-5,5a-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione. The TPSA of 73.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-5-(thiophen-2-yl)-5,5a-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione. Following Lipinski's Rule of Five, 1,3-dimethyl-5-(thiophen-2-yl)-5,5a-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione has 0 hydrogen bond donor(s) and 5 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 1,3-dimethyl-5-(thiophen-2-yl)-5,5a-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione?
The CAS number of 1,3-dimethyl-5-(thiophen-2-yl)-5,5a-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione is 314039-48-0.
What is the molecular formula of 1,3-dimethyl-5-(thiophen-2-yl)-5,5a-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione?
The molecular formula of 1,3-dimethyl-5-(thiophen-2-yl)-5,5a-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione is C20H15N3O3S.
What is the molecular weight of 1,3-dimethyl-5-(thiophen-2-yl)-5,5a-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione?
The molecular weight of 1,3-dimethyl-5-(thiophen-2-yl)-5,5a-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione is 377.08 g/mol.
Where can I buy 1,3-dimethyl-5-(thiophen-2-yl)-5,5a-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione?
You can request a quote for 1,3-dimethyl-5-(thiophen-2-yl)-5,5a-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-dimethyl-5-(thiophen-2-yl)-5,5a-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-5-(thiophen-2-yl)-5,5a-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.