AE-641/10126049
TL;DR: AE-641/10126049 (CAS 326919-17-9) is a chemical compound with molecular formula C19H22ClN5O2 and molecular weight 387.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione
Also Known As: AE-641/10126049, 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(piperidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione, 7-(4-chlorobenzyl)-1,3-dimethyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione, 7-(4-chlorobenzyl)-1,3-dimethyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C19H22ClN5O2 |
|---|---|
| Molecular Weight | 387.15 g/mol |
| LogP | 2.1257 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.1462 |
| Heavy Atoms | 27 |
| Complexity | 1104.306 |
Chemical Identifiers
| CAS Number | 326919-17-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CC4=CC=C(C=C4)Cl |
Product Overview
AE-641/10126049 (CAS 326919-17-9), with molecular formula C19H22ClN5O2 and molecular weight 387.15 g/mol. IUPAC: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione.
Chemical Property Profile of AE-641/10126049
Property Insights of AE-641/10126049
The XLogP value of 2.1257 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AE-641/10126049. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-641/10126049. Following Lipinski's Rule of Five, AE-641/10126049 has 0 hydrogen bond donor(s) and 4 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 AE-641/10126049?
The CAS number of AE-641/10126049 is 326919-17-9.
What is the molecular formula of AE-641/10126049?
The molecular formula of AE-641/10126049 is C19H22ClN5O2.
What is the molecular weight of AE-641/10126049?
The molecular weight of AE-641/10126049 is 387.15 g/mol.
Where can I buy AE-641/10126049?
You can request a quote for AE-641/10126049 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/10126049?
Yes, KEHONG BIO provides custom synthesis services for AE-641/10126049 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.