UPCMLD0ENAT5804207:001
TL;DR: UPCMLD0ENAT5804207:001 (CAS 872838-53-4) is a chemical compound with molecular formula C22H20FN5O2 and molecular weight 405.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzyl-2-[(2-fluorophenyl)methyl]-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
Also Known As: UPCMLD0ENAT5804207:001, 8-benzyl-3-(2-fluorobenzyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione, 6-benzyl-2-[(2-fluorophenyl)methyl]-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione, 3-[(2-fluorophenyl)methyl]-1-methyl-8-benzyl-1,3,5-trihydroimidazolidino[1,2-h ]purine-2,4-dione, 8-BENZYL-3-[(2-FLUOROPHENYL)METHYL]-1-METHYL-1H,2H,3H,4H,6H,7H,8H-IMIDAZO[1,2-G]PURINE-2,4-DIONE
| Molecular Formula | C22H20FN5O2 |
|---|---|
| Molecular Weight | 405.16 g/mol |
| LogP | 2.1043 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.1601 |
| Heavy Atoms | 30 |
| Complexity | 1370.2948 |
Chemical Identifiers
| CAS Number | 872838-53-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3F)N4CCN(C4=N2)CC5=CC=CC=C5 |
Product Overview
UPCMLD0ENAT5804207:001 (CAS 872838-53-4), with molecular formula C22H20FN5O2 and molecular weight 405.16 g/mol. IUPAC: 6-benzyl-2-[(2-fluorophenyl)methyl]-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of UPCMLD0ENAT5804207:001
Property Insights of UPCMLD0ENAT5804207:001
The XLogP value of 2.1043 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5804207:001. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5804207:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5804207:001 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 UPCMLD0ENAT5804207:001?
The CAS number of UPCMLD0ENAT5804207:001 is 872838-53-4.
What is the molecular formula of UPCMLD0ENAT5804207:001?
The molecular formula of UPCMLD0ENAT5804207:001 is C22H20FN5O2.
What is the molecular weight of UPCMLD0ENAT5804207:001?
The molecular weight of UPCMLD0ENAT5804207:001 is 405.16 g/mol.
Where can I buy UPCMLD0ENAT5804207:001?
You can request a quote for UPCMLD0ENAT5804207:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5804207:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5804207:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.