BAS 13029882
TL;DR: BAS 13029882 (CAS 878730-36-0) is a chemical compound with molecular formula C19H16F3N5O4 and molecular weight 435.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4,7-dimethyl-1,3-dioxo-6-[4-(trifluoromethyl)phenyl]purino[7,8-a]imidazol-2-yl]acetate
Also Known As: BAS 13029882, UPCMLD0ENAT5861079:001, VU0509572-1, F3124-0311, methyl 2-(1,7-dimethyl-2,4-dioxo-8-(4-(trifluoromethyl)phenyl)-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetate
| Molecular Formula | C19H16F3N5O4 |
|---|---|
| Molecular Weight | 435.12 g/mol |
| LogP | 1.63882 |
| Topological Polar Surface Area | 92.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 435.11545 |
| Heavy Atoms | 31 |
| Complexity | 1455.216 |
Chemical Identifiers
| CAS Number | 878730-36-0 |
|---|---|
| SMILES | CC1=CN2C3=C(N=C2N1C4=CC=C(C=C4)C(F)(F)F)N(C(=O)N(C3=O)CC(=O)OC)C |
Product Overview
BAS 13029882 (CAS 878730-36-0), with molecular formula C19H16F3N5O4 and molecular weight 435.12 g/mol. IUPAC: methyl 2-[4,7-dimethyl-1,3-dioxo-6-[4-(trifluoromethyl)phenyl]purino[7,8-a]imidazol-2-yl]acetate.
Chemical Property Profile of BAS 13029882
Property Insights of BAS 13029882
The XLogP value of 1.63882 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13029882. The TPSA of 92.53 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13029882. Following Lipinski's Rule of Five, BAS 13029882 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 13029882?
The CAS number of BAS 13029882 is 878730-36-0.
What is the molecular formula of BAS 13029882?
The molecular formula of BAS 13029882 is C19H16F3N5O4.
What is the molecular weight of BAS 13029882?
The molecular weight of BAS 13029882 is 435.12 g/mol.
Where can I buy BAS 13029882?
You can request a quote for BAS 13029882 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13029882?
Yes, KEHONG BIO provides custom synthesis services for BAS 13029882 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.