A3723/0157745
TL;DR: A3723/0157745 (CAS 727420-99-7) is a chemical compound with molecular formula C18H13F3N6O3 and molecular weight 418.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-5-(pyrimidin-2-ylamino)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4,6-trione
Also Known As: A3723/0157745, 1-benzyl-2-hydroxy-5-(pyrimidin-2-ylamino)-5-(trifluoromethyl)-5,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-4,6-dione, 1-BENZYL-5-(2-PYRIMIDINYLAMINO)-5-(TRIFLUOROMETHYL)-5,7-DIHYDRO-1H-PYRROLO[2,3-D]PYRIMIDINE-2,4,6(3H)-TRIONE, 1-benzyl-5-(pyrimidin-2-ylamino)-5-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4,6(3H,5H,7H)-trione, 1-benzyl-5-(pyrimidin-2-ylamino)-5-(trifluoromethyl)-5,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-2,4,6(3H)-trione
| Molecular Formula | C18H13F3N6O3 |
|---|---|
| Molecular Weight | 418.10 g/mol |
| LogP | 1.1967 |
| Topological Polar Surface Area | 121.77 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.10013 |
| Heavy Atoms | 30 |
| Complexity | 1223.8997 |
Chemical Identifiers
| CAS Number | 727420-99-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=C(C(=O)NC2=O)C(C(=O)N3)(C(F)(F)F)NC4=NC=CC=N4 |
Product Overview
A3723/0157745 (CAS 727420-99-7), with molecular formula C18H13F3N6O3 and molecular weight 418.10 g/mol. IUPAC: 1-benzyl-5-(pyrimidin-2-ylamino)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4,6-trione.
Chemical Property Profile of A3723/0157745
Property Insights of A3723/0157745
The XLogP value of 1.1967 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3723/0157745. The TPSA of 121.77 Ų falls within the moderate polarity range, balancing permeability and solubility for A3723/0157745. Following Lipinski's Rule of Five, A3723/0157745 has 3 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 A3723/0157745?
The CAS number of A3723/0157745 is 727420-99-7.
What is the molecular formula of A3723/0157745?
The molecular formula of A3723/0157745 is C18H13F3N6O3.
What is the molecular weight of A3723/0157745?
The molecular weight of A3723/0157745 is 418.10 g/mol.
Where can I buy A3723/0157745?
You can request a quote for A3723/0157745 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3723/0157745?
Yes, KEHONG BIO provides custom synthesis services for A3723/0157745 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.