A3272/0139168
TL;DR: A3272/0139168 (CAS 633282-59-4) is a chemical compound with molecular formula C23H18F6N4O3 and molecular weight 512.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethylphenyl)-7-(3-methoxyphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: A3272/0139168, 1-(3,4-dimethylphenyl)-7-(3-methoxyphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 1-(3,4-dimethylphenyl)-4-hydroxy-7-(3-methoxyphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, 1-(3,4-DIMETHYLPHENYL)-7-(3-METHOXYPHENYL)-5,5-BIS(TRIFLUOROMETHYL)-1H,2H,3H,4H,5H,8H-PYRIMIDO[4,5-D][1,3]DIAZINE-2,4-DIONE, 1-(3,4-dimethylphenyl)-7-(3-methoxyphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C23H18F6N4O3 |
|---|---|
| Molecular Weight | 512.13 g/mol |
| LogP | 4.34344 |
| Topological Polar Surface Area | 88.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 512.1283 |
| Heavy Atoms | 36 |
| Complexity | 1487.3948 |
Chemical Identifiers
| CAS Number | 633282-59-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C3=C(C(=O)NC2=O)C(N=C(N3)C4=CC(=CC=C4)OC)(C(F)(F)F)C(F)(F)F)C |
Product Overview
A3272/0139168 (CAS 633282-59-4), with molecular formula C23H18F6N4O3 and molecular weight 512.13 g/mol. IUPAC: 1-(3,4-dimethylphenyl)-7-(3-methoxyphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of A3272/0139168
Property Insights of A3272/0139168
The XLogP value of 4.34344 indicates that A3272/0139168 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.48 Ų falls within the moderate polarity range, balancing permeability and solubility for A3272/0139168. Following Lipinski's Rule of Five, A3272/0139168 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3272/0139168?
The CAS number of A3272/0139168 is 633282-59-4.
What is the molecular formula of A3272/0139168?
The molecular formula of A3272/0139168 is C23H18F6N4O3.
What is the molecular weight of A3272/0139168?
The molecular weight of A3272/0139168 is 512.13 g/mol.
Where can I buy A3272/0139168?
You can request a quote for A3272/0139168 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3272/0139168?
Yes, KEHONG BIO provides custom synthesis services for A3272/0139168 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.