AN-512/13263022
TL;DR: AN-512/13263022 (CAS 327098-89-5) is a chemical compound with molecular formula C17H19Cl2N5O4 and molecular weight 427.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(3,4-dichlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-1,3-dimethylpurine-2,6-dione
Also Known As: AN-512/13263022, 7-(3,4-dichlorobenzyl)-8-[(2,3-dihydroxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-[(3,4-dichlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-1,3-dimethyl-purine-2,6-dione, 7-[(3,4-dichlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-1,3-dimethylpurine-2,6-dione, 7-(3,4-dichlorobenzyl)-8-((2,3-dihydroxypropyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C17H19Cl2N5O4 |
|---|---|
| Molecular Weight | 427.08 g/mol |
| LogP | 0.5539 |
| Topological Polar Surface Area | 114.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.08142 |
| Heavy Atoms | 28 |
| Complexity | 1151.126 |
Chemical Identifiers
| CAS Number | 327098-89-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC(CO)O)CC3=CC(=C(C=C3)Cl)Cl |
Product Overview
AN-512/13263022 (CAS 327098-89-5), with molecular formula C17H19Cl2N5O4 and molecular weight 427.08 g/mol. IUPAC: 7-[(3,4-dichlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of AN-512/13263022
Property Insights of AN-512/13263022
The XLogP value of 0.5539 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-512/13263022. The TPSA of 114.31 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-512/13263022. Following Lipinski's Rule of Five, AN-512/13263022 has 3 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-512/13263022?
The CAS number of AN-512/13263022 is 327098-89-5.
What is the molecular formula of AN-512/13263022?
The molecular formula of AN-512/13263022 is C17H19Cl2N5O4.
What is the molecular weight of AN-512/13263022?
The molecular weight of AN-512/13263022 is 427.08 g/mol.
Where can I buy AN-512/13263022?
You can request a quote for AN-512/13263022 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-512/13263022?
Yes, KEHONG BIO provides custom synthesis services for AN-512/13263022 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.