AB00674463-01
TL;DR: AB00674463-01 (CAS 861820-79-3) is a chemical compound with molecular formula C23H31N5O2 and molecular weight 409.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-[(3-methylphenyl)methyl]-8-[(3,3,5-trimethylcyclohexyl)amino]purine-2,6-dione
Also Known As: AB00674463-01, 3-methyl-7-[(3-methylphenyl)methyl]-8-[(3,3,5-trimethylcyclohexyl)amino]purine-2,6-dione, 3-methyl-7-(3-methylbenzyl)-8-((3,3,5-trimethylcyclohexyl)amino)-1H-purine-2,6(3H,7H)-dione, 3-methyl-7-(3-methylbenzyl)-8-[(3,3,5-trimethylcyclohexyl)amino]-3,7-dihydro-1H-purine-2,6-dione, 3-methyl-7-[(3-methylphenyl)methyl]-8-[(3,3,5-trimethylcyclohexyl)amino]-1,3,7 -trihydropurine-2,6-dione
| Molecular Formula | C23H31N5O2 |
|---|---|
| Molecular Weight | 409.25 g/mol |
| LogP | 3.40672 |
| Topological Polar Surface Area | 84.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.24777 |
| Heavy Atoms | 30 |
| Complexity | 1200.5044 |
Chemical Identifiers
| CAS Number | 861820-79-3 |
|---|---|
| SMILES | CC1CC(CC(C1)(C)C)NC2=NC3=C(N2CC4=CC=CC(=C4)C)C(=O)NC(=O)N3C |
Product Overview
AB00674463-01 (CAS 861820-79-3), with molecular formula C23H31N5O2 and molecular weight 409.25 g/mol. IUPAC: 3-methyl-7-[(3-methylphenyl)methyl]-8-[(3,3,5-trimethylcyclohexyl)amino]purine-2,6-dione.
Chemical Property Profile of AB00674463-01
Property Insights of AB00674463-01
The XLogP value of 3.40672 indicates that AB00674463-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.71 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00674463-01. Following Lipinski's Rule of Five, AB00674463-01 has 2 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 AB00674463-01?
The CAS number of AB00674463-01 is 861820-79-3.
What is the molecular formula of AB00674463-01?
The molecular formula of AB00674463-01 is C23H31N5O2.
What is the molecular weight of AB00674463-01?
The molecular weight of AB00674463-01 is 409.25 g/mol.
Where can I buy AB00674463-01?
You can request a quote for AB00674463-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00674463-01?
Yes, KEHONG BIO provides custom synthesis services for AB00674463-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.