UPCMLD0ENAT5837808:001
TL;DR: UPCMLD0ENAT5837808:001 (CAS 851937-91-2) 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-[(2-ethylpiperidin-1-yl)methyl]-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5837808:001, 8-[(2-ethylpiperidin-1-yl)methyl]-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione, F0634-0126, 8-((2-ethylpiperidin-1-yl)methyl)-7-(4-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-[(2-ethyl-1-piperidyl)methyl]-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione
| Molecular Formula | C22H28FN5O2 |
|---|---|
| Molecular Weight | 413.22 g/mol |
| LogP | 2.3856 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.22272 |
| Heavy Atoms | 30 |
| Complexity | 1175.4316 |
Chemical Identifiers
| CAS Number | 851937-91-2 |
|---|---|
| SMILES | CCC1CCCCN1CC2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)N(C(=O)N3C)C |
Product Overview
UPCMLD0ENAT5837808:001 (CAS 851937-91-2), with molecular formula C22H28FN5O2 and molecular weight 413.22 g/mol. IUPAC: 8-[(2-ethylpiperidin-1-yl)methyl]-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5837808:001
Property Insights of UPCMLD0ENAT5837808:001
The XLogP value of 2.3856 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5837808:001. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5837808:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5837808:001 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 UPCMLD0ENAT5837808:001?
The CAS number of UPCMLD0ENAT5837808:001 is 851937-91-2.
What is the molecular formula of UPCMLD0ENAT5837808:001?
The molecular formula of UPCMLD0ENAT5837808:001 is C22H28FN5O2.
What is the molecular weight of UPCMLD0ENAT5837808:001?
The molecular weight of UPCMLD0ENAT5837808:001 is 413.22 g/mol.
Where can I buy UPCMLD0ENAT5837808:001?
You can request a quote for UPCMLD0ENAT5837808:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5837808:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5837808:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.