UPCMLD0ENAT5796575:001
TL;DR: UPCMLD0ENAT5796575:001 (CAS 896805-04-2) is a chemical compound with molecular formula C21H18FN5O3 and molecular weight 407.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-fluorophenyl)methyl]-6-(furan-2-ylmethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
Also Known As: UPCMLD0ENAT5796575:001, 3-(4-fluorobenzyl)-8-(furan-2-ylmethyl)-1,7-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, F3235-1393, 2-[(4-fluorophenyl)methyl]-6-(furan-2-ylmethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione, 3-[(4-fluorophenyl)methyl]-8-(2-furylmethyl)-1,7-dimethyl-1,3,5-trihydro-4-imi dazolino[1,2-h]purine-2,4-dione
| Molecular Formula | C21H18FN5O3 |
|---|---|
| Molecular Weight | 407.14 g/mol |
| LogP | 2.28652 |
| Topological Polar Surface Area | 79.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.13937 |
| Heavy Atoms | 30 |
| Complexity | 1501.3405 |
Chemical Identifiers
| CAS Number | 896805-04-2 |
|---|---|
| SMILES | CC1=CN2C3=C(N=C2N1CC4=CC=CO4)N(C(=O)N(C3=O)CC5=CC=C(C=C5)F)C |
Product Overview
UPCMLD0ENAT5796575:001 (CAS 896805-04-2), with molecular formula C21H18FN5O3 and molecular weight 407.14 g/mol. IUPAC: 2-[(4-fluorophenyl)methyl]-6-(furan-2-ylmethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of UPCMLD0ENAT5796575:001
Property Insights of UPCMLD0ENAT5796575:001
The XLogP value of 2.28652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5796575:001. The TPSA of 79.37 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5796575:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5796575:001 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 UPCMLD0ENAT5796575:001?
The CAS number of UPCMLD0ENAT5796575:001 is 896805-04-2.
What is the molecular formula of UPCMLD0ENAT5796575:001?
The molecular formula of UPCMLD0ENAT5796575:001 is C21H18FN5O3.
What is the molecular weight of UPCMLD0ENAT5796575:001?
The molecular weight of UPCMLD0ENAT5796575:001 is 407.14 g/mol.
Where can I buy UPCMLD0ENAT5796575:001?
You can request a quote for UPCMLD0ENAT5796575:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5796575:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5796575:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.