A2911/0122700
TL;DR: A2911/0122700 (CAS 577988-85-3) is a chemical compound with molecular formula C18H9ClF6N4O2S and molecular weight 494.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-7-thiophen-2-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: A2911/0122700, 1-(4-chlorophenyl)-7-(thiophen-2-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 1-(4-chlorophenyl)-4-hydroxy-7-(thiophen-2-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, 1-(4-CHLOROPHENYL)-7-(THIOPHEN-2-YL)-5,5-BIS(TRIFLUOROMETHYL)-1H,2H,3H,4H,5H,8H-PYRIMIDO[4,5-D][1,3]DIAZINE-2,4-DIONE, 1-(4-chlorophenyl)-7-thiophen-2-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C18H9ClF6N4O2S |
|---|---|
| Molecular Weight | 494.00 g/mol |
| LogP | 4.4329 |
| Topological Polar Surface Area | 79.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 494.0039 |
| Heavy Atoms | 32 |
| Complexity | 1309.9705 |
Chemical Identifiers
| CAS Number | 577988-85-3 |
|---|---|
| SMILES | C1=CSC(=C1)C2=NC(C3=C(N2)N(C(=O)NC3=O)C4=CC=C(C=C4)Cl)(C(F)(F)F)C(F)(F)F |
Product Overview
A2911/0122700 (CAS 577988-85-3), with molecular formula C18H9ClF6N4O2S and molecular weight 494.00 g/mol. IUPAC: 1-(4-chlorophenyl)-7-thiophen-2-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of A2911/0122700
Property Insights of A2911/0122700
The XLogP value of 4.4329 indicates that A2911/0122700 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.25 Ų falls within the moderate polarity range, balancing permeability and solubility for A2911/0122700. Following Lipinski's Rule of Five, A2911/0122700 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 A2911/0122700?
The CAS number of A2911/0122700 is 577988-85-3.
What is the molecular formula of A2911/0122700?
The molecular formula of A2911/0122700 is C18H9ClF6N4O2S.
What is the molecular weight of A2911/0122700?
The molecular weight of A2911/0122700 is 494.00 g/mol.
Where can I buy A2911/0122700?
You can request a quote for A2911/0122700 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2911/0122700?
Yes, KEHONG BIO provides custom synthesis services for A2911/0122700 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.