AB00686361-01
TL;DR: AB00686361-01 (CAS 867136-56-9) is a chemical compound with molecular formula C20H21BrN2O4S2 and molecular weight 496.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5Z)-5-(5-bromo-1-hexyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: AB00686361-01, (Z)-3-(5-(5-bromo-1-hexyl-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid, F1673-1923, 3-[(5Z)-5-(5-bromo-1-hexyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid, 3-[(5Z)-5-(5-bromo-1-hexyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
| Molecular Formula | C20H21BrN2O4S2 |
|---|---|
| Molecular Weight | 496.01 g/mol |
| LogP | 4.4221 |
| Topological Polar Surface Area | 77.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 496.0126 |
| Heavy Atoms | 29 |
| Complexity | 915.7423 |
Chemical Identifiers
| CAS Number | 867136-56-9 |
|---|---|
| SMILES | CCCCCCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CCC(=O)O)/C1=O |
Product Overview
AB00686361-01 (CAS 867136-56-9), with molecular formula C20H21BrN2O4S2 and molecular weight 496.01 g/mol. IUPAC: 3-[(5Z)-5-(5-bromo-1-hexyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of AB00686361-01
Property Insights of AB00686361-01
The XLogP value of 4.4221 indicates that AB00686361-01 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 AB00686361-01. Following Lipinski's Rule of Five, AB00686361-01 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 AB00686361-01?
The CAS number of AB00686361-01 is 867136-56-9.
What is the molecular formula of AB00686361-01?
The molecular formula of AB00686361-01 is C20H21BrN2O4S2.
What is the molecular weight of AB00686361-01?
The molecular weight of AB00686361-01 is 496.01 g/mol.
Where can I buy AB00686361-01?
You can request a quote for AB00686361-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686361-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686361-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.