AB00668555-01
TL;DR: AB00668555-01 (CAS 501352-41-6) is a chemical compound with molecular formula C21H25N7O3S and molecular weight 455.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione
Also Known As: AB00668555-01, 7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione, F0570-0373, 7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione, 7-(2-benzooxazol-2-ylsulfanylethyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione
| Molecular Formula | C21H25N7O3S |
|---|---|
| Molecular Weight | 455.17 g/mol |
| LogP | 1.119 |
| Topological Polar Surface Area | 94.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.17395 |
| Heavy Atoms | 32 |
| Complexity | 1375.7888 |
Chemical Identifiers
| CAS Number | 501352-41-6 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC3=C(N2CCSC4=NC5=CC=CC=C5O4)C(=O)N(C(=O)N3C)C |
Product Overview
AB00668555-01 (CAS 501352-41-6), with molecular formula C21H25N7O3S and molecular weight 455.17 g/mol. IUPAC: 7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione.
Chemical Property Profile of AB00668555-01
Property Insights of AB00668555-01
The XLogP value of 1.119 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00668555-01. The TPSA of 94.33 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00668555-01. Following Lipinski's Rule of Five, AB00668555-01 has 0 hydrogen bond donor(s) and 8 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 AB00668555-01?
The CAS number of AB00668555-01 is 501352-41-6.
What is the molecular formula of AB00668555-01?
The molecular formula of AB00668555-01 is C21H25N7O3S.
What is the molecular weight of AB00668555-01?
The molecular weight of AB00668555-01 is 455.17 g/mol.
Where can I buy AB00668555-01?
You can request a quote for AB00668555-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668555-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668555-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.