![3-(2-chloro-6-fluorobenzyl)-1,7-dimethyloxazolo[2,3-f]purine-2,4(1H,3H)-dione structure](/static/products/899/899751-30-5.png)
3-(2-chloro-6-fluorobenzyl)-1,7-dimethyloxazolo[2,3-f]purine-2,4(1H,3H)-dione
TL;DR: 3-(2-chloro-6-fluorobenzyl)-1,7-dimethyloxazolo[2,3-f]purine-2,4(1H,3H)-dione (CAS 899751-30-5) is a chemical compound with molecular formula C16H12ClFN4O3 and molecular weight 362.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloro-6-fluorophenyl)methyl]-4,7-dimethylpurino[8,7-b][1,3]oxazole-1,3-dione
Also Known As: AB00681157-01, F2705-0034, 3-(2-chloro-6-fluorobenzyl)-1,7-dimethyloxazolo[2,3-f]purine-2,4(1H,3H)-dione, 2-[(2-chloro-6-fluorophenyl)methyl]-4,7-dimethylpurino[8,7-b][1,3]oxazole-1,3-dione, 3-[(6-chloro-2-fluorophenyl)methyl]-1,7-dimethyl-1,3,5-trihydro-1,3-oxazolino[ 3,2-h]purine-2,4-dione
| Molecular Formula | C16H12ClFN4O3 |
|---|---|
| Molecular Weight | 362.06 g/mol |
| LogP | 2.09012 |
| Topological Polar Surface Area | 74.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 362.0582 |
| Heavy Atoms | 25 |
| Complexity | 1244.3274 |
Chemical Identifiers
| CAS Number | 899751-30-5 |
|---|---|
| SMILES | CC1=CN2C3=C(N=C2O1)N(C(=O)N(C3=O)CC4=C(C=CC=C4Cl)F)C |
Product Overview
3-(2-chloro-6-fluorobenzyl)-1,7-dimethyloxazolo[2,3-f]purine-2,4(1H,3H)-dione (CAS 899751-30-5), with molecular formula C16H12ClFN4O3 and molecular weight 362.06 g/mol. IUPAC: 2-[(2-chloro-6-fluorophenyl)methyl]-4,7-dimethylpurino[8,7-b][1,3]oxazole-1,3-dione.
Chemical Property Profile of 3-(2-chloro-6-fluorobenzyl)-1,7-dimethyloxazolo[2,3-f]purine-2,4(1H,3H)-dione
Property Insights of 3-(2-chloro-6-fluorobenzyl)-1,7-dimethyloxazolo[2,3-f]purine-2,4(1H,3H)-dione
The XLogP value of 2.09012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-chloro-6-fluorobenzyl)-1,7-dimethyloxazolo[2,3-f]purine-2,4(1H,3H)-dione. The TPSA of 74.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-chloro-6-fluorobenzyl)-1,7-dimethyloxazolo[2,3-f]purine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 3-(2-chloro-6-fluorobenzyl)-1,7-dimethyloxazolo[2,3-f]purine-2,4(1H,3H)-dione 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 3-(2-chloro-6-fluorobenzyl)-1,7-dimethyloxazolo[2,3-f]purine-2,4(1H,3H)-dione?
The CAS number of 3-(2-chloro-6-fluorobenzyl)-1,7-dimethyloxazolo[2,3-f]purine-2,4(1H,3H)-dione is 899751-30-5.
What is the molecular formula of 3-(2-chloro-6-fluorobenzyl)-1,7-dimethyloxazolo[2,3-f]purine-2,4(1H,3H)-dione?
The molecular formula of 3-(2-chloro-6-fluorobenzyl)-1,7-dimethyloxazolo[2,3-f]purine-2,4(1H,3H)-dione is C16H12ClFN4O3.
What is the molecular weight of 3-(2-chloro-6-fluorobenzyl)-1,7-dimethyloxazolo[2,3-f]purine-2,4(1H,3H)-dione?
The molecular weight of 3-(2-chloro-6-fluorobenzyl)-1,7-dimethyloxazolo[2,3-f]purine-2,4(1H,3H)-dione is 362.06 g/mol.
Where can I buy 3-(2-chloro-6-fluorobenzyl)-1,7-dimethyloxazolo[2,3-f]purine-2,4(1H,3H)-dione?
You can request a quote for 3-(2-chloro-6-fluorobenzyl)-1,7-dimethyloxazolo[2,3-f]purine-2,4(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-chloro-6-fluorobenzyl)-1,7-dimethyloxazolo[2,3-f]purine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-chloro-6-fluorobenzyl)-1,7-dimethyloxazolo[2,3-f]purine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.