AB00115041-01
TL;DR: AB00115041-01 (CAS 380573-63-7) is a chemical compound with molecular formula C17H13BrN2O4S2 and molecular weight 451.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5Z)-5-(5-bromo-2-oxo-1-prop-2-enylindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: AB00115041-01, 3-[(5Z)-5-(5-bromo-2-oxo-1-prop-2-enylindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid, (Z)-3-(5-(1-allyl-5-bromo-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid, 3-[(5Z)-5-(1-allyl-5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid, 3-{(5Z)-5-[5-bromo-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid
| Molecular Formula | C17H13BrN2O4S2 |
|---|---|
| Molecular Weight | 451.95 g/mol |
| LogP | 3.0278 |
| Topological Polar Surface Area | 77.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.95 |
| Heavy Atoms | 26 |
| Complexity | 896.7491 |
Chemical Identifiers
| CAS Number | 380573-63-7 |
|---|---|
| SMILES | C=CCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CCC(=O)O)/C1=O |
Product Overview
AB00115041-01 (CAS 380573-63-7), with molecular formula C17H13BrN2O4S2 and molecular weight 451.95 g/mol. IUPAC: 3-[(5Z)-5-(5-bromo-2-oxo-1-prop-2-enylindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of AB00115041-01
Property Insights of AB00115041-01
The XLogP value of 3.0278 indicates that AB00115041-01 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 AB00115041-01. Following Lipinski's Rule of Five, AB00115041-01 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 AB00115041-01?
The CAS number of AB00115041-01 is 380573-63-7.
What is the molecular formula of AB00115041-01?
The molecular formula of AB00115041-01 is C17H13BrN2O4S2.
What is the molecular weight of AB00115041-01?
The molecular weight of AB00115041-01 is 451.95 g/mol.
Where can I buy AB00115041-01?
You can request a quote for AB00115041-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00115041-01?
Yes, KEHONG BIO provides custom synthesis services for AB00115041-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.