AB00115797-01
TL;DR: AB00115797-01 (CAS 381175-18-4) is a chemical compound with molecular formula C20H13BrN2O4S2 and molecular weight 487.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: AB00115797-01, 2-[(5Z)-5-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid, (Z)-2-(5-(1-benzyl-5-bromo-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid, [(5Z)-5-(1-benzyl-5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid, 2-{5-[(3Z)-1-BENZYL-5-BROMO-2-OXO-2,3-DIHYDRO-1H-INDOL-3-YLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL}ACETIC ACID
| Molecular Formula | C20H13BrN2O4S2 |
|---|---|
| Molecular Weight | 487.95 g/mol |
| LogP | 3.6519 |
| Topological Polar Surface Area | 77.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 487.95 |
| Heavy Atoms | 29 |
| Complexity | 1100.9149 |
Chemical Identifiers
| CAS Number | 381175-18-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Br)/C(=C/4\C(=O)N(C(=S)S4)CC(=O)O)/C2=O |
Product Overview
AB00115797-01 (CAS 381175-18-4), with molecular formula C20H13BrN2O4S2 and molecular weight 487.95 g/mol. IUPAC: 2-[(5Z)-5-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of AB00115797-01
Property Insights of AB00115797-01
The XLogP value of 3.6519 indicates that AB00115797-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.92 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00115797-01. Following Lipinski's Rule of Five, AB00115797-01 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 AB00115797-01?
The CAS number of AB00115797-01 is 381175-18-4.
What is the molecular formula of AB00115797-01?
The molecular formula of AB00115797-01 is C20H13BrN2O4S2.
What is the molecular weight of AB00115797-01?
The molecular weight of AB00115797-01 is 487.95 g/mol.
Where can I buy AB00115797-01?
You can request a quote for AB00115797-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00115797-01?
Yes, KEHONG BIO provides custom synthesis services for AB00115797-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.