AB00112740-01
TL;DR: AB00112740-01 (CAS 376624-58-7) is a chemical compound with molecular formula C17H10BrN3O2S and molecular weight 398.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-3-(4-hydroxy-3-phenyl-2-sulfanylidene-1H-imidazol-5-yl)indol-2-one
Also Known As: AB00112740-01, (3Z)-5-bromo-3-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-ylidene)-1H-indol-2-one, (Z)-5-bromo-3-(5-oxo-1-phenyl-2-thioxoimidazolidin-4-ylidene)indolin-2-one, 5-bromo-3-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-ylidene)-1H-indol-2-one, 5-bromo-3-(5-oxo-1-phenyl-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one
| Molecular Formula | C17H10BrN3O2S |
|---|---|
| Molecular Weight | 398.97 g/mol |
| LogP | 2.36179 |
| Topological Polar Surface Area | 70.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 398.9677 |
| Heavy Atoms | 24 |
| Complexity | 1162.7817 |
Chemical Identifiers
| CAS Number | 376624-58-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=C(NC2=S)C3=C4C=C(C=CC4=NC3=O)Br)O |
Product Overview
AB00112740-01 (CAS 376624-58-7), with molecular formula C17H10BrN3O2S and molecular weight 398.97 g/mol. IUPAC: 5-bromo-3-(4-hydroxy-3-phenyl-2-sulfanylidene-1H-imidazol-5-yl)indol-2-one.
Chemical Property Profile of AB00112740-01
Property Insights of AB00112740-01
The XLogP value of 2.36179 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00112740-01. The TPSA of 70.38 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00112740-01. Following Lipinski's Rule of Five, AB00112740-01 has 2 hydrogen bond donor(s) and 3 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 AB00112740-01?
The CAS number of AB00112740-01 is 376624-58-7.
What is the molecular formula of AB00112740-01?
The molecular formula of AB00112740-01 is C17H10BrN3O2S.
What is the molecular weight of AB00112740-01?
The molecular weight of AB00112740-01 is 398.97 g/mol.
Where can I buy AB00112740-01?
You can request a quote for AB00112740-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00112740-01?
Yes, KEHONG BIO provides custom synthesis services for AB00112740-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.