CAS 612802-60-5 - C17H16N2O3S3
TL;DR: CAS 612802-60-5 - C17H16N2O3S3 (CAS 612802-60-5) is a chemical compound with molecular formula C17H16N2O3S3 and molecular weight 392.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-sulfanylidene-1,3-thiazol-3-yl]-4-methylsulfanylbutanoic acid
Also Known As: 2-[(5Z)-5-[(1H-indol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-(methylsulfanyl)butanoic acid
| Molecular Formula | C17H16N2O3S3 |
|---|---|
| Molecular Weight | 392.03 g/mol |
| LogP | 4.61999 |
| Topological Polar Surface Area | 74.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.03232 |
| Heavy Atoms | 25 |
| Complexity | 927.45953 |
Chemical Identifiers
| CAS Number | 612802-60-5 |
|---|---|
| SMILES | CSCCC(C(=O)O)N1C(=C(SC1=S)C=C2C=NC3=CC=CC=C32)O |
Product Overview
CAS 612802-60-5 - C17H16N2O3S3 (CAS 612802-60-5), with molecular formula C17H16N2O3S3 and molecular weight 392.03 g/mol. IUPAC: 2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-sulfanylidene-1,3-thiazol-3-yl]-4-methylsulfanylbutanoic acid.
Chemical Property Profile of CAS 612802-60-5 - C17H16N2O3S3
Property Insights of CAS 612802-60-5 - C17H16N2O3S3
The XLogP value of 4.61999 indicates that CAS 612802-60-5 - C17H16N2O3S3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.82 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 612802-60-5 - C17H16N2O3S3. Following Lipinski's Rule of Five, CAS 612802-60-5 - C17H16N2O3S3 has 2 hydrogen bond donor(s) and 6 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 CAS 612802-60-5 - C17H16N2O3S3?
The CAS number of CAS 612802-60-5 - C17H16N2O3S3 is 612802-60-5.
What is the molecular formula of CAS 612802-60-5 - C17H16N2O3S3?
The molecular formula of CAS 612802-60-5 - C17H16N2O3S3 is C17H16N2O3S3.
What is the molecular weight of CAS 612802-60-5 - C17H16N2O3S3?
The molecular weight of CAS 612802-60-5 - C17H16N2O3S3 is 392.03 g/mol.
Where can I buy CAS 612802-60-5 - C17H16N2O3S3?
You can request a quote for CAS 612802-60-5 - C17H16N2O3S3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 612802-60-5 - C17H16N2O3S3?
Yes, KEHONG BIO provides custom synthesis services for CAS 612802-60-5 - C17H16N2O3S3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.