AN-212/12565463
TL;DR: AN-212/12565463 (CAS 57445-18-8) is a chemical compound with molecular formula C16H16N4O4S and molecular weight 360.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione
Also Known As: AN-212/12565463, 7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione, 8-mercapto-7-(2-(4-methoxyphenyl)-2-oxoethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione
| Molecular Formula | C16H16N4O4S |
|---|---|
| Molecular Weight | 360.09 g/mol |
| LogP | 0.98779 |
| Topological Polar Surface Area | 91.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.08923 |
| Heavy Atoms | 25 |
| Complexity | 1148.3121 |
Chemical Identifiers
| CAS Number | 57445-18-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=S)N2)CC(=O)C3=CC=C(C=C3)OC |
Product Overview
AN-212/12565463 (CAS 57445-18-8), with molecular formula C16H16N4O4S and molecular weight 360.09 g/mol. IUPAC: 7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione.
Chemical Property Profile of AN-212/12565463
Property Insights of AN-212/12565463
The XLogP value of 0.98779 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-212/12565463. The TPSA of 91.02 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-212/12565463. Following Lipinski's Rule of Five, AN-212/12565463 has 1 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-212/12565463?
The CAS number of AN-212/12565463 is 57445-18-8.
What is the molecular formula of AN-212/12565463?
The molecular formula of AN-212/12565463 is C16H16N4O4S.
What is the molecular weight of AN-212/12565463?
The molecular weight of AN-212/12565463 is 360.09 g/mol.
Where can I buy AN-212/12565463?
You can request a quote for AN-212/12565463 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-212/12565463?
Yes, KEHONG BIO provides custom synthesis services for AN-212/12565463 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.