RefChem:390106
TL;DR: RefChem:390106 (CAS 618071-68-4) is a chemical compound with molecular formula C16H13BrN2O4S2 and molecular weight 439.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3Z)-5-bromo-2-oxo-3-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-1-yl]acetic acid
Also Known As: IFLab1_005724, SALOR-INT L420212-1EA, IDI1_011127, 2-(5-Bromo-3-(3-isopropyl-4-oxo-2-thioxothiazolidin-5-ylidene)-2-oxoindolin-1-yl)acetic acid, [(3Z)-5-BROMO-3-(3-ISOPROPYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)-2-OXO-2,3-DIHYDRO-1H-INDOL-1-YL]ACETIC ACID
| Molecular Formula | C16H13BrN2O4S2 |
|---|---|
| Molecular Weight | 439.95 g/mol |
| LogP | 2.8601 |
| Topological Polar Surface Area | 77.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 439.95 |
| Heavy Atoms | 25 |
| Complexity | 865.69073 |
Chemical Identifiers
| CAS Number | 618071-68-4 |
|---|---|
| SMILES | CC(C)N1C(=O)/C(=C/2\C3=C(C=CC(=C3)Br)N(C2=O)CC(=O)O)/SC1=S |
Product Overview
RefChem:390106 (CAS 618071-68-4), with molecular formula C16H13BrN2O4S2 and molecular weight 439.95 g/mol. IUPAC: 2-[(3Z)-5-bromo-2-oxo-3-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-1-yl]acetic acid.
Chemical Property Profile of RefChem:390106
Property Insights of RefChem:390106
The XLogP value of 2.8601 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:390106. The TPSA of 77.92 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:390106. Following Lipinski's Rule of Five, RefChem:390106 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 RefChem:390106?
The CAS number of RefChem:390106 is 618071-68-4.
What is the molecular formula of RefChem:390106?
The molecular formula of RefChem:390106 is C16H13BrN2O4S2.
What is the molecular weight of RefChem:390106?
The molecular weight of RefChem:390106 is 439.95 g/mol.
Where can I buy RefChem:390106?
You can request a quote for RefChem:390106 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:390106?
Yes, KEHONG BIO provides custom synthesis services for RefChem:390106 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.