AB01308013-01
TL;DR: AB01308013-01 (CAS 503558-97-2) is a chemical compound with molecular formula C20H14F6N4O3 and molecular weight 472.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(furan-2-yl)-1-(2-phenylethyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: AB01308013-01, 7-(2-furyl)-1-(2-phenylethyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 7-(FURAN-2-YL)-1-(2-PHENYLETHYL)-5,5-BIS(TRIFLUOROMETHYL)-1H,2H,3H,4H,5H,8H-PYRIMIDO[4,5-D][1,3]DIAZINE-2,4-DIONE, 7-(furan-2-yl)-1-phenethyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 7-(furan-2-yl)-1-phenethyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C20H14F6N4O3 |
|---|---|
| Molecular Weight | 472.10 g/mol |
| LogP | 3.5645 |
| Topological Polar Surface Area | 92.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 472.09702 |
| Heavy Atoms | 33 |
| Complexity | 1290.7937 |
Chemical Identifiers
| CAS Number | 503558-97-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCN2C3=C(C(=O)NC2=O)C(N=C(N3)C4=CC=CO4)(C(F)(F)F)C(F)(F)F |
Product Overview
AB01308013-01 (CAS 503558-97-2), with molecular formula C20H14F6N4O3 and molecular weight 472.10 g/mol. IUPAC: 7-(furan-2-yl)-1-(2-phenylethyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of AB01308013-01
Property Insights of AB01308013-01
The XLogP value of 3.5645 indicates that AB01308013-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.39 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01308013-01. Following Lipinski's Rule of Five, AB01308013-01 has 2 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 AB01308013-01?
The CAS number of AB01308013-01 is 503558-97-2.
What is the molecular formula of AB01308013-01?
The molecular formula of AB01308013-01 is C20H14F6N4O3.
What is the molecular weight of AB01308013-01?
The molecular weight of AB01308013-01 is 472.10 g/mol.
Where can I buy AB01308013-01?
You can request a quote for AB01308013-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01308013-01?
Yes, KEHONG BIO provides custom synthesis services for AB01308013-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.