A3237/0137469
TL;DR: A3237/0137469 (CAS 634173-12-9) is a chemical compound with molecular formula C20H11F6N5O4 and molecular weight 499.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(3-nitrophenyl)-1-phenyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: A3237/0137469, 7-(3-nitrophenyl)-1-phenyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 4-hydroxy-7-(3-nitrophenyl)-1-phenyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, 7-(3-NITROPHENYL)-1-PHENYL-5,5-BIS(TRIFLUOROMETHYL)-1H,2H,3H,4H,5H,8H-PYRIMIDO[4,5-D][1,3]DIAZINE-2,4-DIONE, 7-(3-nitrophenyl)-1-phenyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C20H11F6N5O4 |
|---|---|
| Molecular Weight | 499.07 g/mol |
| LogP | 3.6262 |
| Topological Polar Surface Area | 122.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 499.07153 |
| Heavy Atoms | 35 |
| Complexity | 1460.2914 |
Chemical Identifiers
| CAS Number | 634173-12-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C3=C(C(=O)NC2=O)C(N=C(N3)C4=CC(=CC=C4)[N+](=O)[O-])(C(F)(F)F)C(F)(F)F |
Product Overview
A3237/0137469 (CAS 634173-12-9), with molecular formula C20H11F6N5O4 and molecular weight 499.07 g/mol. IUPAC: 7-(3-nitrophenyl)-1-phenyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of A3237/0137469
Property Insights of A3237/0137469
The XLogP value of 3.6262 indicates that A3237/0137469 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.39 Ų falls within the moderate polarity range, balancing permeability and solubility for A3237/0137469. Following Lipinski's Rule of Five, A3237/0137469 has 2 hydrogen bond donor(s) and 6 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 A3237/0137469?
The CAS number of A3237/0137469 is 634173-12-9.
What is the molecular formula of A3237/0137469?
The molecular formula of A3237/0137469 is C20H11F6N5O4.
What is the molecular weight of A3237/0137469?
The molecular weight of A3237/0137469 is 499.07 g/mol.
Where can I buy A3237/0137469?
You can request a quote for A3237/0137469 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3237/0137469?
Yes, KEHONG BIO provides custom synthesis services for A3237/0137469 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.