A3268/0138972
TL;DR: A3268/0138972 (CAS 633281-14-8) is a chemical compound with molecular formula C26H26ClFN4O3 and molecular weight 496.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-chloro-2-cyclohexylphenoxy)-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: A3268/0138972, 8-(4-chloro-2-cyclohexylphenoxy)-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione, 8-(4-chloro-2-cyclohexylphenoxy)-7-(2-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-(4-CHLORO-2-CYCLOHEXYLPHENOXY)-7-[(2-FLUOROPHENYL)METHYL]-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C26H26ClFN4O3 |
|---|---|
| Molecular Weight | 496.17 g/mol |
| LogP | 5.1145 |
| Topological Polar Surface Area | 71.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 496.16776 |
| Heavy Atoms | 35 |
| Complexity | 1532.3649 |
Chemical Identifiers
| CAS Number | 633281-14-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=C(C=C(C=C3)Cl)C4CCCCC4)CC5=CC=CC=C5F |
Product Overview
A3268/0138972 (CAS 633281-14-8), with molecular formula C26H26ClFN4O3 and molecular weight 496.17 g/mol. IUPAC: 8-(4-chloro-2-cyclohexylphenoxy)-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of A3268/0138972
Property Insights of A3268/0138972
The XLogP value of 5.1145 indicates that A3268/0138972 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.05 Ų falls within the moderate polarity range, balancing permeability and solubility for A3268/0138972. Following Lipinski's Rule of Five, A3268/0138972 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3268/0138972?
The CAS number of A3268/0138972 is 633281-14-8.
What is the molecular formula of A3268/0138972?
The molecular formula of A3268/0138972 is C26H26ClFN4O3.
What is the molecular weight of A3268/0138972?
The molecular weight of A3268/0138972 is 496.17 g/mol.
Where can I buy A3268/0138972?
You can request a quote for A3268/0138972 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3268/0138972?
Yes, KEHONG BIO provides custom synthesis services for A3268/0138972 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.