AB00360820-03
TL;DR: AB00360820-03 (CAS 524053-39-2) is a chemical compound with molecular formula C19H12F6N4O2S and molecular weight 474.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-7-thiophen-2-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: AB00360820-03, A2882/0121506, 1-benzyl-7-thiophen-2-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione, 1-benzyl-7-thien-2-yl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 1-benzyl-7-(thiophen-2-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C19H12F6N4O2S |
|---|---|
| Molecular Weight | 474.06 g/mol |
| LogP | 3.8386 |
| Topological Polar Surface Area | 79.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 474.0585 |
| Heavy Atoms | 32 |
| Complexity | 1276.5778 |
Chemical Identifiers
| CAS Number | 524053-39-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=C(C(=O)NC2=O)C(N=C(N3)C4=CC=CS4)(C(F)(F)F)C(F)(F)F |
Product Overview
AB00360820-03 (CAS 524053-39-2), with molecular formula C19H12F6N4O2S and molecular weight 474.06 g/mol. IUPAC: 1-benzyl-7-thiophen-2-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of AB00360820-03
Property Insights of AB00360820-03
The XLogP value of 3.8386 indicates that AB00360820-03 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 AB00360820-03. Following Lipinski's Rule of Five, AB00360820-03 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 AB00360820-03?
The CAS number of AB00360820-03 is 524053-39-2.
What is the molecular formula of AB00360820-03?
The molecular formula of AB00360820-03 is C19H12F6N4O2S.
What is the molecular weight of AB00360820-03?
The molecular weight of AB00360820-03 is 474.06 g/mol.
Where can I buy AB00360820-03?
You can request a quote for AB00360820-03 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00360820-03?
Yes, KEHONG BIO provides custom synthesis services for AB00360820-03 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.