UPCMLD0ENAT5783501:001
TL;DR: UPCMLD0ENAT5783501:001 (CAS 851937-93-4) is a chemical compound with molecular formula C22H28FN5O2 and molecular weight 413.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(3,5-dimethylpiperidin-1-yl)methyl]-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5783501:001, 8-[(3,5-dimethylpiperidin-1-yl)methyl]-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione, 8-[(3,5-dimethyl-1-piperidyl)methyl]-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione, 8-[(3,5-dimethylpiperidin-1-yl)methyl]-7-(4-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-[(3,5-DIMETHYLPIPERIDIN-1-YL)METHYL]-7-[(4-FLUOROPHENYL)METHYL]-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C22H28FN5O2 |
|---|---|
| Molecular Weight | 413.22 g/mol |
| LogP | 2.099 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.22272 |
| Heavy Atoms | 30 |
| Complexity | 1181.4338 |
Chemical Identifiers
| CAS Number | 851937-93-4 |
|---|---|
| SMILES | CC1CC(CN(C1)CC2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)N(C(=O)N3C)C)C |
Product Overview
UPCMLD0ENAT5783501:001 (CAS 851937-93-4), with molecular formula C22H28FN5O2 and molecular weight 413.22 g/mol. IUPAC: 8-[(3,5-dimethylpiperidin-1-yl)methyl]-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5783501:001
Property Insights of UPCMLD0ENAT5783501:001
The XLogP value of 2.099 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5783501:001. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5783501:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5783501:001 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 UPCMLD0ENAT5783501:001?
The CAS number of UPCMLD0ENAT5783501:001 is 851937-93-4.
What is the molecular formula of UPCMLD0ENAT5783501:001?
The molecular formula of UPCMLD0ENAT5783501:001 is C22H28FN5O2.
What is the molecular weight of UPCMLD0ENAT5783501:001?
The molecular weight of UPCMLD0ENAT5783501:001 is 413.22 g/mol.
Where can I buy UPCMLD0ENAT5783501:001?
You can request a quote for UPCMLD0ENAT5783501:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5783501:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5783501:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.