AB00668817-01
TL;DR: AB00668817-01 (CAS 536704-71-9) is a chemical compound with molecular formula C26H19N5O2S2 and molecular weight 497.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-2-[[3-(4-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
Also Known As: AB00668817-01, F0580-0224, N-(1,3-benzothiazol-2-yl)-2-[[3-(4-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide, N-(benzo[d]thiazol-2-yl)-2-((4-oxo-3-(p-tolyl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide
| Molecular Formula | C26H19N5O2S2 |
|---|---|
| Molecular Weight | 497.10 g/mol |
| LogP | 5.51592 |
| Topological Polar Surface Area | 92.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 497.09802 |
| Heavy Atoms | 35 |
| Complexity | 1750.6593 |
Chemical Identifiers
| CAS Number | 536704-71-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NC5=NC6=CC=CC=C6S5 |
Product Overview
AB00668817-01 (CAS 536704-71-9), with molecular formula C26H19N5O2S2 and molecular weight 497.10 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-2-[[3-(4-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide.
Chemical Property Profile of AB00668817-01
Property Insights of AB00668817-01
The XLogP value of 5.51592 indicates that AB00668817-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.67 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00668817-01. Following Lipinski's Rule of Five, AB00668817-01 has 2 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 AB00668817-01?
The CAS number of AB00668817-01 is 536704-71-9.
What is the molecular formula of AB00668817-01?
The molecular formula of AB00668817-01 is C26H19N5O2S2.
What is the molecular weight of AB00668817-01?
The molecular weight of AB00668817-01 is 497.10 g/mol.
Where can I buy AB00668817-01?
You can request a quote for AB00668817-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668817-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668817-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.