AB00673184-01
TL;DR: AB00673184-01 (CAS 469871-42-9) is a chemical compound with molecular formula C18H12BrN3O2S2 and molecular weight 444.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-3-[4-hydroxy-3-(N-methylanilino)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
Also Known As: AB00673184-01, (3Z)-5-bromo-3-{3-[methyl(phenyl)amino]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}-1,3-dihydro-2H-indol-2-one, (Z)-5-(5-bromo-2-oxoindolin-3-ylidene)-3-(methyl(phenyl)amino)-2-thioxothiazolidin-4-one, (5E)-5-(5-bromo-2-oxo-1H-indol-3-ylidene)-3-(N-methylanilino)-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-5-(5-bromo-2-oxo-1H-indol-3-ylidene)-3-(N-methylanilino)-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C18H12BrN3O2S2 |
|---|---|
| Molecular Weight | 444.96 g/mol |
| LogP | 3.00549 |
| Topological Polar Surface Area | 57.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 444.95544 |
| Heavy Atoms | 26 |
| Complexity | 1215.4686 |
Chemical Identifiers
| CAS Number | 469871-42-9 |
|---|---|
| SMILES | CN(C1=CC=CC=C1)N2C(=C(SC2=S)C3=C4C=C(C=CC4=NC3=O)Br)O |
Product Overview
AB00673184-01 (CAS 469871-42-9), with molecular formula C18H12BrN3O2S2 and molecular weight 444.96 g/mol. IUPAC: 5-bromo-3-[4-hydroxy-3-(N-methylanilino)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one.
Chemical Property Profile of AB00673184-01
Property Insights of AB00673184-01
The XLogP value of 3.00549 indicates that AB00673184-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.83 Ų, AB00673184-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00673184-01 has 1 hydrogen bond donor(s) and 5 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 AB00673184-01?
The CAS number of AB00673184-01 is 469871-42-9.
What is the molecular formula of AB00673184-01?
The molecular formula of AB00673184-01 is C18H12BrN3O2S2.
What is the molecular weight of AB00673184-01?
The molecular weight of AB00673184-01 is 444.96 g/mol.
Where can I buy AB00673184-01?
You can request a quote for AB00673184-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00673184-01?
Yes, KEHONG BIO provides custom synthesis services for AB00673184-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.