A2911/0122697
TL;DR: A2911/0122697 (CAS 587009-52-7) is a chemical compound with molecular formula C16H12F6N4O3 and molecular weight 422.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)-7-methyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: A2911/0122697, 1-(4-methoxyphenyl)-7-methyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 1-(4-methoxyphenyl)-7-methyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione, 4-hydroxy-1-(4-methoxyphenyl)-7-methyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
| Molecular Formula | C16H12F6N4O3 |
|---|---|
| Molecular Weight | 422.08 g/mol |
| LogP | 2.6982 |
| Topological Polar Surface Area | 88.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 422.08136 |
| Heavy Atoms | 29 |
| Complexity | 1082.0991 |
Chemical Identifiers
| CAS Number | 587009-52-7 |
|---|---|
| SMILES | CC1=NC(C2=C(N1)N(C(=O)NC2=O)C3=CC=C(C=C3)OC)(C(F)(F)F)C(F)(F)F |
Product Overview
A2911/0122697 (CAS 587009-52-7), with molecular formula C16H12F6N4O3 and molecular weight 422.08 g/mol. IUPAC: 1-(4-methoxyphenyl)-7-methyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of A2911/0122697
Property Insights of A2911/0122697
The XLogP value of 2.6982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2911/0122697. The TPSA of 88.48 Ų falls within the moderate polarity range, balancing permeability and solubility for A2911/0122697. Following Lipinski's Rule of Five, A2911/0122697 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 A2911/0122697?
The CAS number of A2911/0122697 is 587009-52-7.
What is the molecular formula of A2911/0122697?
The molecular formula of A2911/0122697 is C16H12F6N4O3.
What is the molecular weight of A2911/0122697?
The molecular weight of A2911/0122697 is 422.08 g/mol.
Where can I buy A2911/0122697?
You can request a quote for A2911/0122697 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2911/0122697?
Yes, KEHONG BIO provides custom synthesis services for A2911/0122697 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.