UPCMLD0ENAT5972511:001
TL;DR: UPCMLD0ENAT5972511:001 (CAS 899727-01-6) is a chemical compound with molecular formula C20H20F3N5O2 and molecular weight 419.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7-dimethyl-2-(2-methylpropyl)-6-[4-(trifluoromethyl)phenyl]purino[7,8-a]imidazole-1,3-dione
Also Known As: UPCMLD0ENAT5972511:001, F3124-0291, 3-isobutyl-1,7-dimethyl-8-(4-(trifluoromethyl)phenyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 4,7-dimethyl-2-(2-methylpropyl)-6-[4-(trifluoromethyl)phenyl]purino[7,8-a]imidazole-1,3-dione, 1,7-dimethyl-3-(2-methylpropyl)-8-[4-(trifluoromethyl)phenyl]-1,3,5-trihydro-4 -imidazolino[1,2-h]purine-2,4-dione
| Molecular Formula | C20H20F3N5O2 |
|---|---|
| Molecular Weight | 419.16 g/mol |
| LogP | 3.12182 |
| Topological Polar Surface Area | 66.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.15692 |
| Heavy Atoms | 30 |
| Complexity | 1385.3229 |
Chemical Identifiers
| CAS Number | 899727-01-6 |
|---|---|
| SMILES | CC1=CN2C3=C(N=C2N1C4=CC=C(C=C4)C(F)(F)F)N(C(=O)N(C3=O)CC(C)C)C |
Product Overview
UPCMLD0ENAT5972511:001 (CAS 899727-01-6), with molecular formula C20H20F3N5O2 and molecular weight 419.16 g/mol. IUPAC: 4,7-dimethyl-2-(2-methylpropyl)-6-[4-(trifluoromethyl)phenyl]purino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of UPCMLD0ENAT5972511:001
Property Insights of UPCMLD0ENAT5972511:001
The XLogP value of 3.12182 indicates that UPCMLD0ENAT5972511:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.23 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5972511:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5972511:001 has 0 hydrogen bond donor(s) and 3 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 UPCMLD0ENAT5972511:001?
The CAS number of UPCMLD0ENAT5972511:001 is 899727-01-6.
What is the molecular formula of UPCMLD0ENAT5972511:001?
The molecular formula of UPCMLD0ENAT5972511:001 is C20H20F3N5O2.
What is the molecular weight of UPCMLD0ENAT5972511:001?
The molecular weight of UPCMLD0ENAT5972511:001 is 419.16 g/mol.
Where can I buy UPCMLD0ENAT5972511:001?
You can request a quote for UPCMLD0ENAT5972511:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5972511:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5972511:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.