A3241/0137636
TL;DR: A3241/0137636 (CAS 634175-85-2) is a chemical compound with molecular formula C21H14F4N4O4 and molecular weight 462.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(4-fluorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-methylbenzamide
Also Known As: A3241/0137636, N-(1-(4-fluorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methylbenzamide, N-[1-(4-FLUOROPHENYL)-2,4,6-TRIOXO-5-(TRIFLUOROMETHYL)-1H,2H,3H,4H,5H,6H,7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL]-2-METHYLBENZAMIDE, N-[1-(4-fluorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-methylbenzamide, N-[1-(4-fluorophenyl)-4-hydroxy-2,6-dioxo-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-methylbenzamide
| Molecular Formula | C21H14F4N4O4 |
|---|---|
| Molecular Weight | 462.10 g/mol |
| LogP | 2.11302 |
| Topological Polar Surface Area | 113.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 462.09512 |
| Heavy Atoms | 33 |
| Complexity | 1409.4877 |
Chemical Identifiers
| CAS Number | 634175-85-2 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)NC2(C3=C(NC2=O)N(C(=O)NC3=O)C4=CC=C(C=C4)F)C(F)(F)F |
Product Overview
A3241/0137636 (CAS 634175-85-2), with molecular formula C21H14F4N4O4 and molecular weight 462.10 g/mol. IUPAC: N-[1-(4-fluorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-methylbenzamide.
Chemical Property Profile of A3241/0137636
Property Insights of A3241/0137636
The XLogP value of 2.11302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3241/0137636. The TPSA of 113.06 Ų falls within the moderate polarity range, balancing permeability and solubility for A3241/0137636. Following Lipinski's Rule of Five, A3241/0137636 has 3 hydrogen bond donor(s) and 4 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 A3241/0137636?
The CAS number of A3241/0137636 is 634175-85-2.
What is the molecular formula of A3241/0137636?
The molecular formula of A3241/0137636 is C21H14F4N4O4.
What is the molecular weight of A3241/0137636?
The molecular weight of A3241/0137636 is 462.10 g/mol.
Where can I buy A3241/0137636?
You can request a quote for A3241/0137636 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3241/0137636?
Yes, KEHONG BIO provides custom synthesis services for A3241/0137636 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.