A3101/0131300
TL;DR: A3101/0131300 (CAS 578733-81-0) is a chemical compound with molecular formula C19H13F3N4O5 and molecular weight 434.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]furan-2-carboxamide
Also Known As: A3101/0131300, N-[1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]furan-2-carboxamide, Furan-2-carboxylic acid (1-benzyl-2,4,6-trioxo-5-trifluoromethyl-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-amide, N-(1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)furan-2-carboxamide, N-[1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-furamide
| Molecular Formula | C19H13F3N4O5 |
|---|---|
| Molecular Weight | 434.08 g/mol |
| LogP | 1.3176 |
| Topological Polar Surface Area | 126.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.0838 |
| Heavy Atoms | 31 |
| Complexity | 1278.6074 |
Chemical Identifiers
| CAS Number | 578733-81-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=C(C(=O)NC2=O)C(C(=O)N3)(C(F)(F)F)NC(=O)C4=CC=CO4 |
Product Overview
A3101/0131300 (CAS 578733-81-0), with molecular formula C19H13F3N4O5 and molecular weight 434.08 g/mol. IUPAC: N-[1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]furan-2-carboxamide.
Chemical Property Profile of A3101/0131300
Property Insights of A3101/0131300
The XLogP value of 1.3176 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3101/0131300. The TPSA of 126.2 Ų falls within the moderate polarity range, balancing permeability and solubility for A3101/0131300. Following Lipinski's Rule of Five, A3101/0131300 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 A3101/0131300?
The CAS number of A3101/0131300 is 578733-81-0.
What is the molecular formula of A3101/0131300?
The molecular formula of A3101/0131300 is C19H13F3N4O5.
What is the molecular weight of A3101/0131300?
The molecular weight of A3101/0131300 is 434.08 g/mol.
Where can I buy A3101/0131300?
You can request a quote for A3101/0131300 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3101/0131300?
Yes, KEHONG BIO provides custom synthesis services for A3101/0131300 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.