BAS 12777252
TL;DR: BAS 12777252 (CAS 878731-83-0) is a chemical compound with molecular formula C17H15F3N4O3 and molecular weight 380.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-prop-2-enyl-8-[3-(trifluoromethyl)phenoxy]purine-2,6-dione
Also Known As: BAS 12777252, AB01276419-01, 1,3-dimethyl-7-(prop-2-en-1-yl)-8-[3-(trifluoromethyl)phenoxy]-3,7-dihydro-1H-purine-2,6-dione, 1,3-dimethyl-7-prop-2-enyl-8-[3-(trifluoromethyl)phenoxy]purine-2,6-dione, 7-allyl-1,3-dimethyl-8-(3-(trifluoromethyl)phenoxy)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C17H15F3N4O3 |
|---|---|
| Molecular Weight | 380.11 g/mol |
| LogP | 2.4308 |
| Topological Polar Surface Area | 71.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.10962 |
| Heavy Atoms | 27 |
| Complexity | 1155.1559 |
Chemical Identifiers
| CAS Number | 878731-83-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=CC(=C3)C(F)(F)F)CC=C |
Product Overview
BAS 12777252 (CAS 878731-83-0), with molecular formula C17H15F3N4O3 and molecular weight 380.11 g/mol. IUPAC: 1,3-dimethyl-7-prop-2-enyl-8-[3-(trifluoromethyl)phenoxy]purine-2,6-dione.
Chemical Property Profile of BAS 12777252
Property Insights of BAS 12777252
The XLogP value of 2.4308 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12777252. The TPSA of 71.05 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12777252. Following Lipinski's Rule of Five, BAS 12777252 has 0 hydrogen bond donor(s) and 4 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 BAS 12777252?
The CAS number of BAS 12777252 is 878731-83-0.
What is the molecular formula of BAS 12777252?
The molecular formula of BAS 12777252 is C17H15F3N4O3.
What is the molecular weight of BAS 12777252?
The molecular weight of BAS 12777252 is 380.11 g/mol.
Where can I buy BAS 12777252?
You can request a quote for BAS 12777252 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12777252?
Yes, KEHONG BIO provides custom synthesis services for BAS 12777252 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.