AB00099746-01
TL;DR: AB00099746-01 (CAS 1453172-26-3) is a chemical compound with molecular formula C15H13BrN2O3S2 and molecular weight 411.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-3-[4-hydroxy-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
Also Known As: AB00099746-01, (3Z)-5-bromo-3-[3-(3-methoxypropyl)-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-(3-methoxypropyl)-2-thioxothiazolidin-4-one, (5E)-5-(5-bromo-2-oxo-1H-indol-3-ylidene)-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-5-(5-bromo-2-oxo-1H-indol-3-ylidene)-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C15H13BrN2O3S2 |
|---|---|
| Molecular Weight | 411.96 g/mol |
| LogP | 2.14249 |
| Topological Polar Surface Area | 63.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.9551 |
| Heavy Atoms | 23 |
| Complexity | 962.0772 |
Chemical Identifiers
| CAS Number | 1453172-26-3 |
|---|---|
| SMILES | COCCCN1C(=C(SC1=S)C2=C3C=C(C=CC3=NC2=O)Br)O |
Product Overview
AB00099746-01 (CAS 1453172-26-3), with molecular formula C15H13BrN2O3S2 and molecular weight 411.96 g/mol. IUPAC: 5-bromo-3-[4-hydroxy-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one.
Chemical Property Profile of AB00099746-01
Property Insights of AB00099746-01
The XLogP value of 2.14249 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00099746-01. The TPSA of 63.82 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00099746-01. Following Lipinski's Rule of Five, AB00099746-01 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 AB00099746-01?
The CAS number of AB00099746-01 is 1453172-26-3.
What is the molecular formula of AB00099746-01?
The molecular formula of AB00099746-01 is C15H13BrN2O3S2.
What is the molecular weight of AB00099746-01?
The molecular weight of AB00099746-01 is 411.96 g/mol.
Where can I buy AB00099746-01?
You can request a quote for AB00099746-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00099746-01?
Yes, KEHONG BIO provides custom synthesis services for AB00099746-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.