UPCMLD0ENAT5836622:001
TL;DR: UPCMLD0ENAT5836622:001 (CAS 851937-98-9) is a chemical compound with molecular formula C22H27FN6O4 and molecular weight 458.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate
Also Known As: UPCMLD0ENAT5836622:001, AB00429211-10, F0634-0135, ethyl 4-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate, 4-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]methyl]-1-piperazinecarboxylic acid ethyl ester
| Molecular Formula | C22H27FN6O4 |
|---|---|
| Molecular Weight | 458.21 g/mol |
| LogP | 0.8952 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.2078 |
| Heavy Atoms | 33 |
| Complexity | 1285.434 |
Chemical Identifiers
| CAS Number | 851937-98-9 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)N(C(=O)N3C)C |
Product Overview
UPCMLD0ENAT5836622:001 (CAS 851937-98-9), with molecular formula C22H27FN6O4 and molecular weight 458.21 g/mol. IUPAC: ethyl 4-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate.
Chemical Property Profile of UPCMLD0ENAT5836622:001
Property Insights of UPCMLD0ENAT5836622:001
The XLogP value of 0.8952 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5836622:001. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5836622:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5836622:001 has 0 hydrogen bond donor(s) and 6 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 UPCMLD0ENAT5836622:001?
The CAS number of UPCMLD0ENAT5836622:001 is 851937-98-9.
What is the molecular formula of UPCMLD0ENAT5836622:001?
The molecular formula of UPCMLD0ENAT5836622:001 is C22H27FN6O4.
What is the molecular weight of UPCMLD0ENAT5836622:001?
The molecular weight of UPCMLD0ENAT5836622:001 is 458.21 g/mol.
Where can I buy UPCMLD0ENAT5836622:001?
You can request a quote for UPCMLD0ENAT5836622:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5836622:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5836622:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.