A2986/0125778
TL;DR: A2986/0125778 (CAS 577984-52-2) is a chemical compound with molecular formula C21H14ClF3N4O5 and molecular weight 494.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[1-(4-methoxyphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
Also Known As: A2986/0125778, 2-chloro-N-(1-(4-methoxyphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide, 2-CHLORO-N-[1-(4-METHOXYPHENYL)-2,4,6-TRIOXO-5-(TRIFLUOROMETHYL)-1H,2H,3H,4H,5H,6H,7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL]BENZAMIDE, 2-chloro-N-[1-(4-methoxyphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide, 2-chloro-N-[1-(4-methoxyphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
| Molecular Formula | C21H14ClF3N4O5 |
|---|---|
| Molecular Weight | 494.06 g/mol |
| LogP | 2.3275 |
| Topological Polar Surface Area | 122.29 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 494.0605 |
| Heavy Atoms | 34 |
| Complexity | 1432.047 |
Chemical Identifiers
| CAS Number | 577984-52-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C3=C(C(=O)NC2=O)C(C(=O)N3)(C(F)(F)F)NC(=O)C4=CC=CC=C4Cl |
Product Overview
A2986/0125778 (CAS 577984-52-2), with molecular formula C21H14ClF3N4O5 and molecular weight 494.06 g/mol. IUPAC: 2-chloro-N-[1-(4-methoxyphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide.
Chemical Property Profile of A2986/0125778
Property Insights of A2986/0125778
The XLogP value of 2.3275 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2986/0125778. The TPSA of 122.29 Ų falls within the moderate polarity range, balancing permeability and solubility for A2986/0125778. Following Lipinski's Rule of Five, A2986/0125778 has 3 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 A2986/0125778?
The CAS number of A2986/0125778 is 577984-52-2.
What is the molecular formula of A2986/0125778?
The molecular formula of A2986/0125778 is C21H14ClF3N4O5.
What is the molecular weight of A2986/0125778?
The molecular weight of A2986/0125778 is 494.06 g/mol.
Where can I buy A2986/0125778?
You can request a quote for A2986/0125778 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2986/0125778?
Yes, KEHONG BIO provides custom synthesis services for A2986/0125778 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.