AB00668495-01
TL;DR: AB00668495-01 (CAS 685860-53-1) is a chemical compound with molecular formula C27H28N6O2S2 and molecular weight 532.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-(4-benzylpiperidin-1-yl)-3-methylpurine-2,6-dione
Also Known As: AB00668495-01, 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-8-(4-benzylpiperidin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione, F0570-0064, 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-(4-benzylpiperidin-1-yl)-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-(4-benzylpiperidin-1-yl)-3-methylpurine-2,6-dione
| Molecular Formula | C27H28N6O2S2 |
|---|---|
| Molecular Weight | 532.17 g/mol |
| LogP | 4.2844 |
| Topological Polar Surface Area | 88.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 532.1715 |
| Heavy Atoms | 37 |
| Complexity | 1628.6187 |
Chemical Identifiers
| CAS Number | 685860-53-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC(CC3)CC4=CC=CC=C4)CCSC5=NC6=CC=CC=C6S5 |
Product Overview
AB00668495-01 (CAS 685860-53-1), with molecular formula C27H28N6O2S2 and molecular weight 532.17 g/mol. IUPAC: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-(4-benzylpiperidin-1-yl)-3-methylpurine-2,6-dione.
Chemical Property Profile of AB00668495-01
Property Insights of AB00668495-01
The XLogP value of 4.2844 indicates that AB00668495-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.81 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00668495-01. Following Lipinski's Rule of Five, AB00668495-01 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00668495-01?
The CAS number of AB00668495-01 is 685860-53-1.
What is the molecular formula of AB00668495-01?
The molecular formula of AB00668495-01 is C27H28N6O2S2.
What is the molecular weight of AB00668495-01?
The molecular weight of AB00668495-01 is 532.17 g/mol.
Where can I buy AB00668495-01?
You can request a quote for AB00668495-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668495-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668495-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.