UPCMLD0ENAT5817378:001
TL;DR: UPCMLD0ENAT5817378:001 (CAS 896850-97-8) is a chemical compound with molecular formula C20H20FN5O4 and molecular weight 413.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[6-(4-fluorophenyl)-4,7,8-trimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]propanoate
Also Known As: UPCMLD0ENAT5817378:001, VU0606608-1, F3235-0040, methyl 3-(8-(4-fluorophenyl)-1,6,7-trimethyl-2,4-dioxo-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)propanoate, methyl 3-[6-(4-fluorophenyl)-4,7,8-trimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]propanoate
| Molecular Formula | C20H20FN5O4 |
|---|---|
| Molecular Weight | 413.15 g/mol |
| LogP | 1.45764 |
| Topological Polar Surface Area | 92.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.14993 |
| Heavy Atoms | 30 |
| Complexity | 1422.676 |
Chemical Identifiers
| CAS Number | 896850-97-8 |
|---|---|
| SMILES | CC1=C(N2C3=C(N=C2N1C4=CC=C(C=C4)F)N(C(=O)N(C3=O)CCC(=O)OC)C)C |
Product Overview
UPCMLD0ENAT5817378:001 (CAS 896850-97-8), with molecular formula C20H20FN5O4 and molecular weight 413.15 g/mol. IUPAC: methyl 3-[6-(4-fluorophenyl)-4,7,8-trimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]propanoate.
Chemical Property Profile of UPCMLD0ENAT5817378:001
Property Insights of UPCMLD0ENAT5817378:001
The XLogP value of 1.45764 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5817378:001. The TPSA of 92.53 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5817378:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5817378:001 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 UPCMLD0ENAT5817378:001?
The CAS number of UPCMLD0ENAT5817378:001 is 896850-97-8.
What is the molecular formula of UPCMLD0ENAT5817378:001?
The molecular formula of UPCMLD0ENAT5817378:001 is C20H20FN5O4.
What is the molecular weight of UPCMLD0ENAT5817378:001?
The molecular weight of UPCMLD0ENAT5817378:001 is 413.15 g/mol.
Where can I buy UPCMLD0ENAT5817378:001?
You can request a quote for UPCMLD0ENAT5817378:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5817378:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5817378:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.