AN-512/13264037
TL;DR: AN-512/13264037 (CAS 353506-94-2) is a chemical compound with molecular formula C22H21ClFN5O3 and molecular weight 457.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chloro-6-fluorophenyl)methyl]-8-[(2-hydroxy-2-phenylethyl)amino]-1,3-dimethylpurine-2,6-dione
Also Known As: AN-512/13264037, 7-(2-chloro-6-fluorobenzyl)-8-[(2-hydroxy-2-phenylethyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-(2-chloro-6-fluorobenzyl)-8-((2-hydroxy-2-phenylethyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-[(2-chloro-6-fluorophenyl)methyl]-8-[(2-hydroxy-2-phenylethyl)amino]-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C22H21ClFN5O3 |
|---|---|
| Molecular Weight | 457.13 g/mol |
| LogP | 2.42 |
| Topological Polar Surface Area | 94.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.13168 |
| Heavy Atoms | 32 |
| Complexity | 1391.0917 |
Chemical Identifiers
| CAS Number | 353506-94-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC(C3=CC=CC=C3)O)CC4=C(C=CC=C4Cl)F |
Product Overview
AN-512/13264037 (CAS 353506-94-2), with molecular formula C22H21ClFN5O3 and molecular weight 457.13 g/mol. IUPAC: 7-[(2-chloro-6-fluorophenyl)methyl]-8-[(2-hydroxy-2-phenylethyl)amino]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of AN-512/13264037
Property Insights of AN-512/13264037
The XLogP value of 2.42 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-512/13264037. The TPSA of 94.08 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-512/13264037. Following Lipinski's Rule of Five, AN-512/13264037 has 2 hydrogen bond donor(s) and 5 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 AN-512/13264037?
The CAS number of AN-512/13264037 is 353506-94-2.
What is the molecular formula of AN-512/13264037?
The molecular formula of AN-512/13264037 is C22H21ClFN5O3.
What is the molecular weight of AN-512/13264037?
The molecular weight of AN-512/13264037 is 457.13 g/mol.
Where can I buy AN-512/13264037?
You can request a quote for AN-512/13264037 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-512/13264037?
Yes, KEHONG BIO provides custom synthesis services for AN-512/13264037 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.