AN-512/13208059
TL;DR: AN-512/13208059 (CAS 304879-54-7) is a chemical compound with molecular formula C20H17Cl2N5O3 and molecular weight 445.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(pyridin-3-ylmethoxy)purine-2,6-dione
Also Known As: AN-512/13208059, 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(pyridin-3-ylmethoxy)purine-2,6-dione, 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(pyridin-3-ylmethoxy)-3,7-dihydro-1H-purine-2,6-dione, 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(pyridin-3-ylmethoxy)-1H-purine-2,6(3H,7H)-dione, 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(3-pyridinylmethoxy)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C20H17Cl2N5O3 |
|---|---|
| Molecular Weight | 445.07 g/mol |
| LogP | 2.7628 |
| Topological Polar Surface Area | 83.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.07083 |
| Heavy Atoms | 30 |
| Complexity | 1359.1127 |
Chemical Identifiers
| CAS Number | 304879-54-7 |
|---|---|
| SMILES | CN1C2=C(N=C1OCC3=CN=CC=C3)N(C(=O)N(C2=O)CC4=C(C=C(C=C4)Cl)Cl)C |
Product Overview
AN-512/13208059 (CAS 304879-54-7), with molecular formula C20H17Cl2N5O3 and molecular weight 445.07 g/mol. IUPAC: 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(pyridin-3-ylmethoxy)purine-2,6-dione.
Chemical Property Profile of AN-512/13208059
Property Insights of AN-512/13208059
The XLogP value of 2.7628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-512/13208059. The TPSA of 83.94 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-512/13208059. Following Lipinski's Rule of Five, AN-512/13208059 has 0 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-512/13208059?
The CAS number of AN-512/13208059 is 304879-54-7.
What is the molecular formula of AN-512/13208059?
The molecular formula of AN-512/13208059 is C20H17Cl2N5O3.
What is the molecular weight of AN-512/13208059?
The molecular weight of AN-512/13208059 is 445.07 g/mol.
Where can I buy AN-512/13208059?
You can request a quote for AN-512/13208059 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-512/13208059?
Yes, KEHONG BIO provides custom synthesis services for AN-512/13208059 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.