ChemDiv3_002943
TL;DR: ChemDiv3_002943 (CAS 381685-27-4) is a chemical compound with molecular formula C16H11BrN2O4S2 and molecular weight 437.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-(5-bromo-2-oxo-1-prop-2-enylindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: ChemDiv3_002943, AB00114495-01, 2-[(5Z)-5-(5-bromo-2-oxo-1-prop-2-enylindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid, (Z)-2-(5-(1-allyl-5-bromo-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid, [(5Z)-5-(1-allyl-5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
| Molecular Formula | C16H11BrN2O4S2 |
|---|---|
| Molecular Weight | 437.93 g/mol |
| LogP | 2.6377 |
| Topological Polar Surface Area | 77.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 437.93436 |
| Heavy Atoms | 25 |
| Complexity | 880.88574 |
Chemical Identifiers
| CAS Number | 381685-27-4 |
|---|---|
| SMILES | C=CCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CC(=O)O)/C1=O |
Product Overview
ChemDiv3_002943 (CAS 381685-27-4), with molecular formula C16H11BrN2O4S2 and molecular weight 437.93 g/mol. IUPAC: 2-[(5Z)-5-(5-bromo-2-oxo-1-prop-2-enylindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of ChemDiv3_002943
Property Insights of ChemDiv3_002943
The XLogP value of 2.6377 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_002943. The TPSA of 77.92 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_002943. Following Lipinski's Rule of Five, ChemDiv3_002943 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 ChemDiv3_002943?
The CAS number of ChemDiv3_002943 is 381685-27-4.
What is the molecular formula of ChemDiv3_002943?
The molecular formula of ChemDiv3_002943 is C16H11BrN2O4S2.
What is the molecular weight of ChemDiv3_002943?
The molecular weight of ChemDiv3_002943 is 437.93 g/mol.
Where can I buy ChemDiv3_002943?
You can request a quote for ChemDiv3_002943 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_002943?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_002943 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.