A3952/0168371
TL;DR: A3952/0168371 (CAS 889957-79-3) is a chemical compound with molecular formula C17H17F4N4O6P and molecular weight 480.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(diethoxyphosphorylamino)-1-(4-fluorophenyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4,6-trione
Also Known As: A3952/0168371, Diethyl N-[1-(4-fluorophenyl)-2,3,4,5,6,7-hexahydro-2,4,6-trioxo-5-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidin-5-yl]phosphoramidate, 5-(diethoxyphosphorylamino)-1-(4-fluorophenyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4,6-trione, DIETHYL [1-(4-FLUOROPHENYL)-2,4,6-TRIOXO-5-(TRIFLUOROMETHYL)-2,3,4,5,6,7-HEXAHYDRO-1H-PYRROLO[2,3-D]PYRIMIDIN-5-YL]AMIDOPHOSPHATE, diethyl [1-(4-fluorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]phosphoramidate
| Molecular Formula | C17H17F4N4O6P |
|---|---|
| Molecular Weight | 480.08 g/mol |
| LogP | 2.1453 |
| Topological Polar Surface Area | 131.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 480.08218 |
| Heavy Atoms | 32 |
| Complexity | 1199.4932 |
Chemical Identifiers
| CAS Number | 889957-79-3 |
|---|---|
| SMILES | CCOP(=O)(NC1(C2=C(NC1=O)N(C(=O)NC2=O)C3=CC=C(C=C3)F)C(F)(F)F)OCC |
Product Overview
A3952/0168371 (CAS 889957-79-3), with molecular formula C17H17F4N4O6P and molecular weight 480.08 g/mol. IUPAC: 5-(diethoxyphosphorylamino)-1-(4-fluorophenyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4,6-trione.
Chemical Property Profile of A3952/0168371
Property Insights of A3952/0168371
The XLogP value of 2.1453 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3952/0168371. The TPSA of 131.52 Ų falls within the moderate polarity range, balancing permeability and solubility for A3952/0168371. Following Lipinski's Rule of Five, A3952/0168371 has 3 hydrogen bond donor(s) and 6 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 A3952/0168371?
The CAS number of A3952/0168371 is 889957-79-3.
What is the molecular formula of A3952/0168371?
The molecular formula of A3952/0168371 is C17H17F4N4O6P.
What is the molecular weight of A3952/0168371?
The molecular weight of A3952/0168371 is 480.08 g/mol.
Where can I buy A3952/0168371?
You can request a quote for A3952/0168371 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3952/0168371?
Yes, KEHONG BIO provides custom synthesis services for A3952/0168371 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.