A2930/0123314
TL;DR: A2930/0123314 (CAS 577765-80-1) is a chemical compound with molecular formula C21H14ClF3N4O4 and molecular weight 478.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[1-(4-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
Also Known As: A2930/0123314, 3-chloro-N-[1-(4-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide, 3-chloro-N-(2,4,6-trioxo-1-(p-tolyl)-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide, 3-CHLORO-N-[1-(4-METHYLPHENYL)-2,4,6-TRIOXO-5-(TRIFLUOROMETHYL)-1H,2H,3H,4H,5H,6H,7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL]BENZAMIDE, 3-chloro-N-[1-(4-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
| Molecular Formula | C21H14ClF3N4O4 |
|---|---|
| Molecular Weight | 478.07 g/mol |
| LogP | 2.62732 |
| Topological Polar Surface Area | 113.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 478.06558 |
| Heavy Atoms | 33 |
| Complexity | 1412.7328 |
Chemical Identifiers
| CAS Number | 577765-80-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C3=C(C(=O)NC2=O)C(C(=O)N3)(C(F)(F)F)NC(=O)C4=CC(=CC=C4)Cl |
Product Overview
A2930/0123314 (CAS 577765-80-1), with molecular formula C21H14ClF3N4O4 and molecular weight 478.07 g/mol. IUPAC: 3-chloro-N-[1-(4-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide.
Chemical Property Profile of A2930/0123314
Property Insights of A2930/0123314
The XLogP value of 2.62732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2930/0123314. The TPSA of 113.06 Ų falls within the moderate polarity range, balancing permeability and solubility for A2930/0123314. Following Lipinski's Rule of Five, A2930/0123314 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 A2930/0123314?
The CAS number of A2930/0123314 is 577765-80-1.
What is the molecular formula of A2930/0123314?
The molecular formula of A2930/0123314 is C21H14ClF3N4O4.
What is the molecular weight of A2930/0123314?
The molecular weight of A2930/0123314 is 478.07 g/mol.
Where can I buy A2930/0123314?
You can request a quote for A2930/0123314 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2930/0123314?
Yes, KEHONG BIO provides custom synthesis services for A2930/0123314 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.