ChemDiv1_009775
TL;DR: ChemDiv1_009775 (CAS 381694-90-2) is a chemical compound with molecular formula C19H13BrN2O3S2 and molecular weight 459.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-(5-bromo-2-oxo-1-prop-2-enylindol-3-ylidene)-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: ChemDiv1_009775, (5Z)-5-(5-bromo-2-oxo-1-prop-2-enylindol-3-ylidene)-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one, (3Z)-1-allyl-5-bromo-3-[3-(2-furylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1,3-dihydro-2H-indol-2-one, (3Z)-5-bromo-3-[3-(furan-2-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1-(prop-2-en-1-yl)-1,3-dihydro-2H-indol-2-one, (Z)-5-(1-allyl-5-bromo-2-oxoindolin-3-ylidene)-3-(furan-2-ylmethyl)-2-thioxothiazolidin-4-one
| Molecular Formula | C19H13BrN2O3S2 |
|---|---|
| Molecular Weight | 459.96 g/mol |
| LogP | 4.3463 |
| Topological Polar Surface Area | 53.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 459.9551 |
| Heavy Atoms | 27 |
| Complexity | 1013.96704 |
Chemical Identifiers
| CAS Number | 381694-90-2 |
|---|---|
| SMILES | C=CCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CC4=CC=CO4)/C1=O |
Product Overview
ChemDiv1_009775 (CAS 381694-90-2), with molecular formula C19H13BrN2O3S2 and molecular weight 459.96 g/mol. IUPAC: (5Z)-5-(5-bromo-2-oxo-1-prop-2-enylindol-3-ylidene)-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of ChemDiv1_009775
Property Insights of ChemDiv1_009775
The XLogP value of 4.3463 indicates that ChemDiv1_009775 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.76 Ų, ChemDiv1_009775 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_009775 has 0 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 ChemDiv1_009775?
The CAS number of ChemDiv1_009775 is 381694-90-2.
What is the molecular formula of ChemDiv1_009775?
The molecular formula of ChemDiv1_009775 is C19H13BrN2O3S2.
What is the molecular weight of ChemDiv1_009775?
The molecular weight of ChemDiv1_009775 is 459.96 g/mol.
Where can I buy ChemDiv1_009775?
You can request a quote for ChemDiv1_009775 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009775?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009775 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.