AN-512/13208081
TL;DR: AN-512/13208081 (CAS 370076-41-8) is a chemical compound with molecular formula C20H18ClN5O3 and molecular weight 411.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)methyl]-3,7-dimethyl-8-(pyridin-3-ylmethoxy)purine-2,6-dione
Also Known As: AN-512/13208081, 1-(4-chlorobenzyl)-3,7-dimethyl-8-(pyridin-3-ylmethoxy)-3,7-dihydro-1H-purine-2,6-dione, 1-(4-chlorobenzyl)-3,7-dimethyl-8-(3-pyridinylmethoxy)-3,7-dihydro-1H-purine-2,6-dione, 1-(4-chlorobenzyl)-3,7-dimethyl-8-(pyridin-3-ylmethoxy)-1H-purine-2,6(3H,7H)-dione, 1-[(4-chlorophenyl)methyl]-3,7-dimethyl-8-(pyridin-3-ylmethoxy)purine-2,6-dione
| Molecular Formula | C20H18ClN5O3 |
|---|---|
| Molecular Weight | 411.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 80.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.1098 |
| Heavy Atoms | 29 |
| Complexity | 615.0 |
Chemical Identifiers
| CAS Number | 370076-41-8 |
|---|---|
| SMILES | CN1C2=C(N=C1OCC3=CN=CC=C3)N(C(=O)N(C2=O)CC4=CC=C(C=C4)Cl)C |
| InChIKey | LUMDOCZALOCEEU-UHFFFAOYSA-N |
Product Overview
AN-512/13208081 (CAS 370076-41-8), with molecular formula C20H18ClN5O3 and molecular weight 411.11 g/mol. IUPAC: 1-[(4-chlorophenyl)methyl]-3,7-dimethyl-8-(pyridin-3-ylmethoxy)purine-2,6-dione.
Chemical Property Profile of AN-512/13208081
Property Insights of AN-512/13208081
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-512/13208081. The TPSA of 80.6 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-512/13208081. Following Lipinski's Rule of Five, AN-512/13208081 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-512/13208081?
The CAS number of AN-512/13208081 is 370076-41-8.
What is the molecular formula of AN-512/13208081?
The molecular formula of AN-512/13208081 is C20H18ClN5O3.
What is the molecular weight of AN-512/13208081?
The molecular weight of AN-512/13208081 is 411.11 g/mol.
Where can I buy AN-512/13208081?
You can request a quote for AN-512/13208081 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-512/13208081?
Yes, KEHONG BIO provides custom synthesis services for AN-512/13208081 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.