UPCMLD0ENAT5833079:001
TL;DR: UPCMLD0ENAT5833079:001 (CAS 838899-16-4) is a chemical compound with molecular formula C21H25FN6O4 and molecular weight 444.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate
Also Known As: UPCMLD0ENAT5833079:001, methyl (8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate, methyl 2-(8-((4-(2-fluorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate, methyl 2-[8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate, methyl 2-(8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate
| Molecular Formula | C21H25FN6O4 |
|---|---|
| Molecular Weight | 444.19 g/mol |
| LogP | 0.068 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.19214 |
| Heavy Atoms | 32 |
| Complexity | 1285.9075 |
Chemical Identifiers
| CAS Number | 838899-16-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C4=CC=CC=C4F)CC(=O)OC |
Product Overview
UPCMLD0ENAT5833079:001 (CAS 838899-16-4), with molecular formula C21H25FN6O4 and molecular weight 444.19 g/mol. IUPAC: methyl 2-[8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate.
Chemical Property Profile of UPCMLD0ENAT5833079:001
Property Insights of UPCMLD0ENAT5833079:001
The XLogP value of 0.068 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5833079:001. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5833079:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5833079:001 has 0 hydrogen bond donor(s) and 7 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 UPCMLD0ENAT5833079:001?
The CAS number of UPCMLD0ENAT5833079:001 is 838899-16-4.
What is the molecular formula of UPCMLD0ENAT5833079:001?
The molecular formula of UPCMLD0ENAT5833079:001 is C21H25FN6O4.
What is the molecular weight of UPCMLD0ENAT5833079:001?
The molecular weight of UPCMLD0ENAT5833079:001 is 444.19 g/mol.
Where can I buy UPCMLD0ENAT5833079:001?
You can request a quote for UPCMLD0ENAT5833079:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5833079:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5833079:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.