BAS 13030235
TL;DR: BAS 13030235 (CAS 878734-27-1) is a chemical compound with molecular formula C20H18F3N5O4 and molecular weight 449.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4,7,8-trimethyl-1,3-dioxo-6-[4-(trifluoromethyl)phenyl]purino[7,8-a]imidazol-2-yl]acetate
Also Known As: BAS 13030235, UPCMLD0ENAT5865359:001, VU0492588-1, AB00683005-01, F3124-0664
| Molecular Formula | C20H18F3N5O4 |
|---|---|
| Molecular Weight | 449.13 g/mol |
| LogP | 1.94724 |
| Topological Polar Surface Area | 92.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 449.1311 |
| Heavy Atoms | 32 |
| Complexity | 1503.7683 |
Chemical Identifiers
| CAS Number | 878734-27-1 |
|---|---|
| SMILES | CC1=C(N2C3=C(N=C2N1C4=CC=C(C=C4)C(F)(F)F)N(C(=O)N(C3=O)CC(=O)OC)C)C |
Product Overview
BAS 13030235 (CAS 878734-27-1), with molecular formula C20H18F3N5O4 and molecular weight 449.13 g/mol. IUPAC: methyl 2-[4,7,8-trimethyl-1,3-dioxo-6-[4-(trifluoromethyl)phenyl]purino[7,8-a]imidazol-2-yl]acetate.
Chemical Property Profile of BAS 13030235
Property Insights of BAS 13030235
The XLogP value of 1.94724 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13030235. The TPSA of 92.53 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13030235. Following Lipinski's Rule of Five, BAS 13030235 has 0 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 BAS 13030235?
The CAS number of BAS 13030235 is 878734-27-1.
What is the molecular formula of BAS 13030235?
The molecular formula of BAS 13030235 is C20H18F3N5O4.
What is the molecular weight of BAS 13030235?
The molecular weight of BAS 13030235 is 449.13 g/mol.
Where can I buy BAS 13030235?
You can request a quote for BAS 13030235 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13030235?
Yes, KEHONG BIO provides custom synthesis services for BAS 13030235 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.