![1-(3-chlorophenyl)-6-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione structure](/static/products/895/895830-11-2.png)
1-(3-chlorophenyl)-6-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
TL;DR: 1-(3-chlorophenyl)-6-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione (CAS 895830-11-2) is a chemical compound with molecular formula C18H16ClN5O2 and molecular weight 369.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorophenyl)-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: 1-(3-chlorophenyl)-6-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 1-(3-chlorophenyl)-2-hydroxy-6-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one, 1-(3-chlorophenyl)-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione, 5-(3-chlorophenyl)-9-(pyridin-3-ylmethyl)-3,5,7,9-tetrazabicyclo[4.4.0]dec-11-ene-2,4-dione
| Molecular Formula | C18H16ClN5O2 |
|---|---|
| Molecular Weight | 369.10 g/mol |
| LogP | 1.9594 |
| Topological Polar Surface Area | 83.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 369.09924 |
| Heavy Atoms | 26 |
| Complexity | 1061.1669 |
Chemical Identifiers
| CAS Number | 895830-11-2 |
|---|---|
| SMILES | C1C2=C(NCN1CC3=CN=CC=C3)N(C(=O)NC2=O)C4=CC(=CC=C4)Cl |
Product Overview
1-(3-chlorophenyl)-6-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione (CAS 895830-11-2), with molecular formula C18H16ClN5O2 and molecular weight 369.10 g/mol. IUPAC: 1-(3-chlorophenyl)-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of 1-(3-chlorophenyl)-6-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Property Insights of 1-(3-chlorophenyl)-6-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
The XLogP value of 1.9594 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-chlorophenyl)-6-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione. The TPSA of 83.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-chlorophenyl)-6-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 1-(3-chlorophenyl)-6-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione has 2 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-chlorophenyl)-6-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The CAS number of 1-(3-chlorophenyl)-6-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is 895830-11-2.
What is the molecular formula of 1-(3-chlorophenyl)-6-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The molecular formula of 1-(3-chlorophenyl)-6-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is C18H16ClN5O2.
What is the molecular weight of 1-(3-chlorophenyl)-6-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The molecular weight of 1-(3-chlorophenyl)-6-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is 369.10 g/mol.
Where can I buy 1-(3-chlorophenyl)-6-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
You can request a quote for 1-(3-chlorophenyl)-6-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-chlorophenyl)-6-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-chlorophenyl)-6-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.