BAS 13030241
TL;DR: BAS 13030241 (CAS 878734-33-9) is a chemical compound with molecular formula C21H20F3N5O3 and molecular weight 447.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7,8-trimethyl-2-(3-oxobutan-2-yl)-6-[4-(trifluoromethyl)phenyl]purino[7,8-a]imidazole-1,3-dione
Also Known As: BAS 13030241, AB00683007-01, F3124-0670, 1,6,7-trimethyl-3-(1-methyl-2-oxopropyl)-8-[4-(trifluoromethyl)phenyl]-1,3,5-t rihydro-4-imidazolino[1,2-h]purine-2,4-dione, 1,6,7-trimethyl-3-(3-oxobutan-2-yl)-8-[4-(trifluoromethyl)phenyl]-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione
| Molecular Formula | C21H20F3N5O3 |
|---|---|
| Molecular Weight | 447.15 g/mol |
| LogP | 2.92424 |
| Topological Polar Surface Area | 83.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 447.15182 |
| Heavy Atoms | 32 |
| Complexity | 1517.8021 |
Chemical Identifiers
| CAS Number | 878734-33-9 |
|---|---|
| SMILES | CC1=C(N2C3=C(N=C2N1C4=CC=C(C=C4)C(F)(F)F)N(C(=O)N(C3=O)C(C)C(=O)C)C)C |
Product Overview
BAS 13030241 (CAS 878734-33-9), with molecular formula C21H20F3N5O3 and molecular weight 447.15 g/mol. IUPAC: 4,7,8-trimethyl-2-(3-oxobutan-2-yl)-6-[4-(trifluoromethyl)phenyl]purino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of BAS 13030241
Property Insights of BAS 13030241
The XLogP value of 2.92424 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13030241. The TPSA of 83.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13030241. Following Lipinski's Rule of Five, BAS 13030241 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 13030241?
The CAS number of BAS 13030241 is 878734-33-9.
What is the molecular formula of BAS 13030241?
The molecular formula of BAS 13030241 is C21H20F3N5O3.
What is the molecular weight of BAS 13030241?
The molecular weight of BAS 13030241 is 447.15 g/mol.
Where can I buy BAS 13030241?
You can request a quote for BAS 13030241 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13030241?
Yes, KEHONG BIO provides custom synthesis services for BAS 13030241 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.