A3102/0131350
TL;DR: A3102/0131350 (CAS 606923-67-5) is a chemical compound with molecular formula C23H19F3N4O5 and molecular weight 488.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(4-methoxyphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3-phenylpropanamide
Also Known As: A3102/0131350, N-[1-(4-methoxyphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3-phenylpropanamide, 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)-3-phenylpropanamide, N-[1-(4-METHOXYPHENYL)-2,4,6-TRIOXO-5-(TRIFLUOROMETHYL)-1H,2H,3H,4H,5H,6H,7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL]-3-PHENYLPROPANAMIDE, 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]-3-phenylpropanamide
| Molecular Formula | C23H19F3N4O5 |
|---|---|
| Molecular Weight | 488.13 g/mol |
| LogP | 1.9931 |
| Topological Polar Surface Area | 122.29 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.13077 |
| Heavy Atoms | 35 |
| Complexity | 1397.8846 |
Chemical Identifiers
| CAS Number | 606923-67-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C3=C(C(=O)NC2=O)C(C(=O)N3)(C(F)(F)F)NC(=O)CCC4=CC=CC=C4 |
Product Overview
A3102/0131350 (CAS 606923-67-5), with molecular formula C23H19F3N4O5 and molecular weight 488.13 g/mol. IUPAC: N-[1-(4-methoxyphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3-phenylpropanamide.
Chemical Property Profile of A3102/0131350
Property Insights of A3102/0131350
The XLogP value of 1.9931 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3102/0131350. The TPSA of 122.29 Ų falls within the moderate polarity range, balancing permeability and solubility for A3102/0131350. Following Lipinski's Rule of Five, A3102/0131350 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 A3102/0131350?
The CAS number of A3102/0131350 is 606923-67-5.
What is the molecular formula of A3102/0131350?
The molecular formula of A3102/0131350 is C23H19F3N4O5.
What is the molecular weight of A3102/0131350?
The molecular weight of A3102/0131350 is 488.13 g/mol.
Where can I buy A3102/0131350?
You can request a quote for A3102/0131350 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3102/0131350?
Yes, KEHONG BIO provides custom synthesis services for A3102/0131350 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.