AN-512/12595050
TL;DR: AN-512/12595050 (CAS 300586-46-3) is a chemical compound with molecular formula C22H22N4O5 and molecular weight 422.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3-methoxyphenoxy)-7-[(3-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: AN-512/12595050, 7-(3-methoxybenzyl)-8-(3-methoxyphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-(3-methoxybenzyl)-8-(3-methoxyphenoxy)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-(3-methoxyphenoxy)-7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione, 8-(3-methoxyphenoxy)-7-[(3-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C22H22N4O5 |
|---|---|
| Molecular Weight | 422.16 g/mol |
| LogP | 2.2915 |
| Topological Polar Surface Area | 89.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.15903 |
| Heavy Atoms | 31 |
| Complexity | 1383.1632 |
Chemical Identifiers
| CAS Number | 300586-46-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=CC(=C3)OC)CC4=CC(=CC=C4)OC |
Product Overview
AN-512/12595050 (CAS 300586-46-3), with molecular formula C22H22N4O5 and molecular weight 422.16 g/mol. IUPAC: 8-(3-methoxyphenoxy)-7-[(3-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of AN-512/12595050
Property Insights of AN-512/12595050
The XLogP value of 2.2915 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-512/12595050. The TPSA of 89.51 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-512/12595050. Following Lipinski's Rule of Five, AN-512/12595050 has 0 hydrogen bond donor(s) and 6 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-512/12595050?
The CAS number of AN-512/12595050 is 300586-46-3.
What is the molecular formula of AN-512/12595050?
The molecular formula of AN-512/12595050 is C22H22N4O5.
What is the molecular weight of AN-512/12595050?
The molecular weight of AN-512/12595050 is 422.16 g/mol.
Where can I buy AN-512/12595050?
You can request a quote for AN-512/12595050 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-512/12595050?
Yes, KEHONG BIO provides custom synthesis services for AN-512/12595050 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.