![5-(4-chlorophenyl)-2,8-bis(methylsulfanyl)-5,7-dihydro-4H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6(3H)-dione structure](/static/products/425/425629-96-5.png)
5-(4-chlorophenyl)-2,8-bis(methylsulfanyl)-5,7-dihydro-4H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6(3H)-dione
TL;DR: 5-(4-chlorophenyl)-2,8-bis(methylsulfanyl)-5,7-dihydro-4H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6(3H)-dione (CAS 425629-96-5) is a chemical compound with molecular formula C17H13ClN4O3S2 and molecular weight 420.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-chlorophenyl)-5,13-bis(methylsulfanyl)-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,13-tetraene-7,11-dione
Also Known As: 5-(4-chlorophenyl)-2,8-bis(methylsulfanyl)-5,7-dihydro-4H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6(3H)-dione, 5-(4-chlorophenyl)-2,8-bis(methylthio)-1H-pyrano[2,3-d:6,5-d']dipyrimidine-4,6(5H,9H)-dione, 5-(4-chlorophenyl)-2,8-bis(methylsulfanyl)-5H-pyrano[2,3-d:6,5-d']dipyrimidine-4,6-diol, 5-(4-chlorophenyl)-2,8-bis(methylthio)-5,7-dihydro-4H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6(3H)-dione, Cambridge id 6239651
| Molecular Formula | C17H13ClN4O3S2 |
|---|---|
| Molecular Weight | 420.01 g/mol |
| LogP | 3.2363 |
| Topological Polar Surface Area | 100.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 420.01175 |
| Heavy Atoms | 27 |
| Complexity | 1076.896 |
Chemical Identifiers
| CAS Number | 425629-96-5 |
|---|---|
| SMILES | CSC1=NC2=C(C(C3=C(O2)N=C(NC3=O)SC)C4=CC=C(C=C4)Cl)C(=O)N1 |
Product Overview
5-(4-chlorophenyl)-2,8-bis(methylsulfanyl)-5,7-dihydro-4H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6(3H)-dione (CAS 425629-96-5), with molecular formula C17H13ClN4O3S2 and molecular weight 420.01 g/mol. IUPAC: 9-(4-chlorophenyl)-5,13-bis(methylsulfanyl)-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,13-tetraene-7,11-dione.
Chemical Property Profile of 5-(4-chlorophenyl)-2,8-bis(methylsulfanyl)-5,7-dihydro-4H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6(3H)-dione
Property Insights of 5-(4-chlorophenyl)-2,8-bis(methylsulfanyl)-5,7-dihydro-4H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6(3H)-dione
The XLogP value of 3.2363 indicates that 5-(4-chlorophenyl)-2,8-bis(methylsulfanyl)-5,7-dihydro-4H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6(3H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-chlorophenyl)-2,8-bis(methylsulfanyl)-5,7-dihydro-4H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6(3H)-dione. Following Lipinski's Rule of Five, 5-(4-chlorophenyl)-2,8-bis(methylsulfanyl)-5,7-dihydro-4H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6(3H)-dione has 2 hydrogen bond donor(s) and 7 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 5-(4-chlorophenyl)-2,8-bis(methylsulfanyl)-5,7-dihydro-4H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6(3H)-dione?
The CAS number of 5-(4-chlorophenyl)-2,8-bis(methylsulfanyl)-5,7-dihydro-4H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6(3H)-dione is 425629-96-5.
What is the molecular formula of 5-(4-chlorophenyl)-2,8-bis(methylsulfanyl)-5,7-dihydro-4H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6(3H)-dione?
The molecular formula of 5-(4-chlorophenyl)-2,8-bis(methylsulfanyl)-5,7-dihydro-4H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6(3H)-dione is C17H13ClN4O3S2.
What is the molecular weight of 5-(4-chlorophenyl)-2,8-bis(methylsulfanyl)-5,7-dihydro-4H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6(3H)-dione?
The molecular weight of 5-(4-chlorophenyl)-2,8-bis(methylsulfanyl)-5,7-dihydro-4H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6(3H)-dione is 420.01 g/mol.
Where can I buy 5-(4-chlorophenyl)-2,8-bis(methylsulfanyl)-5,7-dihydro-4H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6(3H)-dione?
You can request a quote for 5-(4-chlorophenyl)-2,8-bis(methylsulfanyl)-5,7-dihydro-4H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6(3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-chlorophenyl)-2,8-bis(methylsulfanyl)-5,7-dihydro-4H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6(3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-chlorophenyl)-2,8-bis(methylsulfanyl)-5,7-dihydro-4H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6(3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.