![1-(3,4-dimethoxyphenethyl)-7-(pyridin-3-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione structure](/static/products/713/713090-93-8.png)
1-(3,4-dimethoxyphenethyl)-7-(pyridin-3-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
TL;DR: 1-(3,4-dimethoxyphenethyl)-7-(pyridin-3-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione (CAS 713090-93-8) is a chemical compound with molecular formula C23H19F6N5O4 and molecular weight 543.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(3,4-dimethoxyphenyl)ethyl]-7-pyridin-3-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: 1-(3,4-dimethoxyphenethyl)-7-(pyridin-3-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-7-(pyridin-3-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, 1-[2-(3,4-dimethoxyphenyl)ethyl]-7-pyridin-3-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C23H19F6N5O4 |
|---|---|
| Molecular Weight | 543.13 g/mol |
| LogP | 3.3837 |
| Topological Polar Surface Area | 110.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 543.1341 |
| Heavy Atoms | 38 |
| Complexity | 1481.3488 |
Chemical Identifiers
| CAS Number | 713090-93-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2C3=C(C(=O)NC2=O)C(N=C(N3)C4=CN=CC=C4)(C(F)(F)F)C(F)(F)F)OC |
Product Overview
1-(3,4-dimethoxyphenethyl)-7-(pyridin-3-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione (CAS 713090-93-8), with molecular formula C23H19F6N5O4 and molecular weight 543.13 g/mol. IUPAC: 1-[2-(3,4-dimethoxyphenyl)ethyl]-7-pyridin-3-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of 1-(3,4-dimethoxyphenethyl)-7-(pyridin-3-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Property Insights of 1-(3,4-dimethoxyphenethyl)-7-(pyridin-3-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
The XLogP value of 3.3837 indicates that 1-(3,4-dimethoxyphenethyl)-7-(pyridin-3-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-dimethoxyphenethyl)-7-(pyridin-3-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 1-(3,4-dimethoxyphenethyl)-7-(pyridin-3-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(3,4-dimethoxyphenethyl)-7-(pyridin-3-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The CAS number of 1-(3,4-dimethoxyphenethyl)-7-(pyridin-3-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is 713090-93-8.
What is the molecular formula of 1-(3,4-dimethoxyphenethyl)-7-(pyridin-3-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The molecular formula of 1-(3,4-dimethoxyphenethyl)-7-(pyridin-3-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is C23H19F6N5O4.
What is the molecular weight of 1-(3,4-dimethoxyphenethyl)-7-(pyridin-3-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The molecular weight of 1-(3,4-dimethoxyphenethyl)-7-(pyridin-3-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is 543.13 g/mol.
Where can I buy 1-(3,4-dimethoxyphenethyl)-7-(pyridin-3-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
You can request a quote for 1-(3,4-dimethoxyphenethyl)-7-(pyridin-3-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[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-(3,4-dimethoxyphenethyl)-7-(pyridin-3-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-dimethoxyphenethyl)-7-(pyridin-3-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.