ASN 13117178
TL;DR: ASN 13117178 (CAS 887030-22-0) is a chemical compound with molecular formula C22H28N6O2 and molecular weight 408.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-[(2-methylphenyl)methyl]-8-[4-(2-methylprop-2-enyl)piperazin-1-yl]purine-2,6-dione
Also Known As: ASN 13117178, UPCMLD0ENAT5825149:001, F2636-0220, 3-methyl-7-[(2-methylphenyl)methyl]-8-[4-(2-methylprop-2-enyl)piperazin-1-yl]purine-2,6-dione, 3-methyl-8-(4-(2-methylallyl)piperazin-1-yl)-7-(2-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C22H28N6O2 |
|---|---|
| Molecular Weight | 408.23 g/mol |
| LogP | 1.47812 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.2274 |
| Heavy Atoms | 30 |
| Complexity | 1210.5713 |
Chemical Identifiers
| CAS Number | 887030-22-0 |
|---|---|
| SMILES | CC1=CC=CC=C1CN2C3=C(N=C2N4CCN(CC4)CC(=C)C)N(C(=O)NC3=O)C |
Product Overview
ASN 13117178 (CAS 887030-22-0), with molecular formula C22H28N6O2 and molecular weight 408.23 g/mol. IUPAC: 3-methyl-7-[(2-methylphenyl)methyl]-8-[4-(2-methylprop-2-enyl)piperazin-1-yl]purine-2,6-dione.
Chemical Property Profile of ASN 13117178
Property Insights of ASN 13117178
The XLogP value of 1.47812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ASN 13117178. The TPSA of 79.16 Ų falls within the moderate polarity range, balancing permeability and solubility for ASN 13117178. Following Lipinski's Rule of Five, ASN 13117178 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 ASN 13117178?
The CAS number of ASN 13117178 is 887030-22-0.
What is the molecular formula of ASN 13117178?
The molecular formula of ASN 13117178 is C22H28N6O2.
What is the molecular weight of ASN 13117178?
The molecular weight of ASN 13117178 is 408.23 g/mol.
Where can I buy ASN 13117178?
You can request a quote for ASN 13117178 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ASN 13117178?
Yes, KEHONG BIO provides custom synthesis services for ASN 13117178 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.