A2911/0122702
TL;DR: A2911/0122702 (CAS 606923-69-7) is a chemical compound with molecular formula C21H13ClF6N4O3 and molecular weight 518.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-7-(3-methoxyphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: A2911/0122702, 1-(4-chlorophenyl)-7-(3-methoxyphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 1-(4-chlorophenyl)-4-hydroxy-7-(3-methoxyphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, 1-(4-chlorophenyl)-7-(3-methoxyphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C21H13ClF6N4O3 |
|---|---|
| Molecular Weight | 518.06 g/mol |
| LogP | 4.38 |
| Topological Polar Surface Area | 88.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 518.05804 |
| Heavy Atoms | 35 |
| Complexity | 1427.6298 |
Chemical Identifiers
| CAS Number | 606923-69-7 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2=NC(C3=C(N2)N(C(=O)NC3=O)C4=CC=C(C=C4)Cl)(C(F)(F)F)C(F)(F)F |
Product Overview
A2911/0122702 (CAS 606923-69-7), with molecular formula C21H13ClF6N4O3 and molecular weight 518.06 g/mol. IUPAC: 1-(4-chlorophenyl)-7-(3-methoxyphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of A2911/0122702
Property Insights of A2911/0122702
The XLogP value of 4.38 indicates that A2911/0122702 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.48 Ų falls within the moderate polarity range, balancing permeability and solubility for A2911/0122702. Following Lipinski's Rule of Five, A2911/0122702 has 2 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 A2911/0122702?
The CAS number of A2911/0122702 is 606923-69-7.
What is the molecular formula of A2911/0122702?
The molecular formula of A2911/0122702 is C21H13ClF6N4O3.
What is the molecular weight of A2911/0122702?
The molecular weight of A2911/0122702 is 518.06 g/mol.
Where can I buy A2911/0122702?
You can request a quote for A2911/0122702 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2911/0122702?
Yes, KEHONG BIO provides custom synthesis services for A2911/0122702 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.