UPCMLD0ENAT5818594:001
TL;DR: UPCMLD0ENAT5818594:001 (CAS 878733-87-0) is a chemical compound with molecular formula C20H22FN5O3 and molecular weight 399.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-ethoxyethyl)-6-(2-fluorophenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
Also Known As: UPCMLD0ENAT5818594:001, BAS 13030198, VU0509613-1, F3124-0627, 2-(2-ethoxyethyl)-6-(2-fluorophenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
| Molecular Formula | C20H22FN5O3 |
|---|---|
| Molecular Weight | 399.17 g/mol |
| LogP | 1.93104 |
| Topological Polar Surface Area | 75.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.17065 |
| Heavy Atoms | 29 |
| Complexity | 1358.9384 |
Chemical Identifiers
| CAS Number | 878733-87-0 |
|---|---|
| SMILES | CCOCCN1C(=O)C2=C(N=C3N2C(=C(N3C4=CC=CC=C4F)C)C)N(C1=O)C |
Product Overview
UPCMLD0ENAT5818594:001 (CAS 878733-87-0), with molecular formula C20H22FN5O3 and molecular weight 399.17 g/mol. IUPAC: 2-(2-ethoxyethyl)-6-(2-fluorophenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of UPCMLD0ENAT5818594:001
Property Insights of UPCMLD0ENAT5818594:001
The XLogP value of 1.93104 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5818594:001. The TPSA of 75.46 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5818594:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5818594:001 has 0 hydrogen bond donor(s) and 4 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 UPCMLD0ENAT5818594:001?
The CAS number of UPCMLD0ENAT5818594:001 is 878733-87-0.
What is the molecular formula of UPCMLD0ENAT5818594:001?
The molecular formula of UPCMLD0ENAT5818594:001 is C20H22FN5O3.
What is the molecular weight of UPCMLD0ENAT5818594:001?
The molecular weight of UPCMLD0ENAT5818594:001 is 399.17 g/mol.
Where can I buy UPCMLD0ENAT5818594:001?
You can request a quote for UPCMLD0ENAT5818594:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5818594:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5818594:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.