ChemDiv1_004437
TL;DR: ChemDiv1_004437 (CAS 309938-07-6) is a chemical compound with molecular formula C22H21ClFN5O2 and molecular weight 441.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-(2-phenylethylamino)purine-2,6-dione
Also Known As: ChemDiv1_004437, 7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione, 7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione, 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-(phenethylamino)purine-2,6-dione
| Molecular Formula | C22H21ClFN5O2 |
|---|---|
| Molecular Weight | 441.14 g/mol |
| LogP | 2.9291 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 441.13678 |
| Heavy Atoms | 31 |
| Complexity | 1354.6632 |
Chemical Identifiers
| CAS Number | 309938-07-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3=CC=CC=C3)CC4=C(C=CC=C4Cl)F |
Product Overview
ChemDiv1_004437 (CAS 309938-07-6), with molecular formula C22H21ClFN5O2 and molecular weight 441.14 g/mol. IUPAC: 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-(2-phenylethylamino)purine-2,6-dione.
Chemical Property Profile of ChemDiv1_004437
Property Insights of ChemDiv1_004437
The XLogP value of 2.9291 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_004437. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004437. Following Lipinski's Rule of Five, ChemDiv1_004437 has 1 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 ChemDiv1_004437?
The CAS number of ChemDiv1_004437 is 309938-07-6.
What is the molecular formula of ChemDiv1_004437?
The molecular formula of ChemDiv1_004437 is C22H21ClFN5O2.
What is the molecular weight of ChemDiv1_004437?
The molecular weight of ChemDiv1_004437 is 441.14 g/mol.
Where can I buy ChemDiv1_004437?
You can request a quote for ChemDiv1_004437 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004437?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004437 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.