AB00772624-01
TL;DR: AB00772624-01 (CAS 851938-98-2) is a chemical compound with molecular formula C26H29ClN6O3 and molecular weight 508.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chlorophenyl)methyl]-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: AB00772624-01, 7-[(2-chlorophenyl)methyl]-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-(2-chlorobenzyl)-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-[(2-chlorophenyl)methyl]-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione, 7-(2-chlorobenzyl)-8-((4-(4-methoxyphenyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C26H29ClN6O3 |
|---|---|
| Molecular Weight | 508.20 g/mol |
| LogP | 2.4662 |
| Topological Polar Surface Area | 77.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 508.19897 |
| Heavy Atoms | 36 |
| Complexity | 1513.9524 |
Chemical Identifiers
| CAS Number | 851938-98-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C4=CC=C(C=C4)OC)CC5=CC=CC=C5Cl |
Product Overview
AB00772624-01 (CAS 851938-98-2), with molecular formula C26H29ClN6O3 and molecular weight 508.20 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of AB00772624-01
Property Insights of AB00772624-01
The XLogP value of 2.4662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00772624-01. The TPSA of 77.53 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00772624-01. Following Lipinski's Rule of Five, AB00772624-01 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00772624-01?
The CAS number of AB00772624-01 is 851938-98-2.
What is the molecular formula of AB00772624-01?
The molecular formula of AB00772624-01 is C26H29ClN6O3.
What is the molecular weight of AB00772624-01?
The molecular weight of AB00772624-01 is 508.20 g/mol.
Where can I buy AB00772624-01?
You can request a quote for AB00772624-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00772624-01?
Yes, KEHONG BIO provides custom synthesis services for AB00772624-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.