UPCMLD0ENAT5869920:001
TL;DR: UPCMLD0ENAT5869920:001 (CAS 878734-19-1) is a chemical compound with molecular formula C20H18F3N5O2 and molecular weight 417.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7,8-trimethyl-2-prop-2-enyl-6-[4-(trifluoromethyl)phenyl]purino[7,8-a]imidazole-1,3-dione
Also Known As: UPCMLD0ENAT5869920:001, BAS 13030220, VU0509617-1, 4,7,8-trimethyl-2-prop-2-enyl-6-[4-(trifluoromethyl)phenyl]purino[7,8-a]imidazole-1,3-dione, F3124-0649
| Molecular Formula | C20H18F3N5O2 |
|---|---|
| Molecular Weight | 417.14 g/mol |
| LogP | 2.96024 |
| Topological Polar Surface Area | 66.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.14127 |
| Heavy Atoms | 30 |
| Complexity | 1432.8726 |
Chemical Identifiers
| CAS Number | 878734-19-1 |
|---|---|
| SMILES | CC1=C(N2C3=C(N=C2N1C4=CC=C(C=C4)C(F)(F)F)N(C(=O)N(C3=O)CC=C)C)C |
Product Overview
UPCMLD0ENAT5869920:001 (CAS 878734-19-1), with molecular formula C20H18F3N5O2 and molecular weight 417.14 g/mol. IUPAC: 4,7,8-trimethyl-2-prop-2-enyl-6-[4-(trifluoromethyl)phenyl]purino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of UPCMLD0ENAT5869920:001
Property Insights of UPCMLD0ENAT5869920:001
The XLogP value of 2.96024 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5869920:001. The TPSA of 66.23 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5869920:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5869920:001 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 UPCMLD0ENAT5869920:001?
The CAS number of UPCMLD0ENAT5869920:001 is 878734-19-1.
What is the molecular formula of UPCMLD0ENAT5869920:001?
The molecular formula of UPCMLD0ENAT5869920:001 is C20H18F3N5O2.
What is the molecular weight of UPCMLD0ENAT5869920:001?
The molecular weight of UPCMLD0ENAT5869920:001 is 417.14 g/mol.
Where can I buy UPCMLD0ENAT5869920:001?
You can request a quote for UPCMLD0ENAT5869920:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5869920:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5869920:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.