BAS 13030239
TL;DR: BAS 13030239 (CAS 878734-29-3) is a chemical compound with molecular formula C19H17F3N6O3 and molecular weight 434.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4,7,8-trimethyl-1,3-dioxo-6-[4-(trifluoromethyl)phenyl]purino[7,8-a]imidazol-2-yl]acetamide
Also Known As: BAS 13030239, VU0492590-1, F3124-0668, 2-[4,7,8-trimethyl-1,3-dioxo-6-[4-(trifluoromethyl)phenyl]purino[7,8-a]imidazol-2-yl]acetamide, 2-(1,6,7-trimethyl-2,4-dioxo-8-(4-(trifluoromethyl)phenyl)-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetamide
| Molecular Formula | C19H17F3N6O3 |
|---|---|
| Molecular Weight | 434.13 g/mol |
| LogP | 1.25954 |
| Topological Polar Surface Area | 109.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 434.1314 |
| Heavy Atoms | 31 |
| Complexity | 1485.8574 |
Chemical Identifiers
| CAS Number | 878734-29-3 |
|---|---|
| SMILES | CC1=C(N2C3=C(N=C2N1C4=CC=C(C=C4)C(F)(F)F)N(C(=O)N(C3=O)CC(=O)N)C)C |
Product Overview
BAS 13030239 (CAS 878734-29-3), with molecular formula C19H17F3N6O3 and molecular weight 434.13 g/mol. IUPAC: 2-[4,7,8-trimethyl-1,3-dioxo-6-[4-(trifluoromethyl)phenyl]purino[7,8-a]imidazol-2-yl]acetamide.
Chemical Property Profile of BAS 13030239
Property Insights of BAS 13030239
The XLogP value of 1.25954 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13030239. The TPSA of 109.32 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13030239. Following Lipinski's Rule of Five, BAS 13030239 has 1 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 13030239?
The CAS number of BAS 13030239 is 878734-29-3.
What is the molecular formula of BAS 13030239?
The molecular formula of BAS 13030239 is C19H17F3N6O3.
What is the molecular weight of BAS 13030239?
The molecular weight of BAS 13030239 is 434.13 g/mol.
Where can I buy BAS 13030239?
You can request a quote for BAS 13030239 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13030239?
Yes, KEHONG BIO provides custom synthesis services for BAS 13030239 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.