BAS 00555999
TL;DR: BAS 00555999 (CAS 1415602-25-3) is a chemical compound with molecular formula C17H16N2O4S2 and molecular weight 376.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]hexanoic acid
Also Known As: BAS 00555999, 6-[(5Z)-4-oxo-5-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid, (Z)-6-(4-oxo-5-(2-oxoindolin-3-ylidene)-2-thioxothiazolidin-3-yl)hexanoic acid, 6-[4-oxo-5-(2-oxo-1H-indol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid, 6-[(5E)-4-oxo-5-(2-oxo-1H-indol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
| Molecular Formula | C17H16N2O4S2 |
|---|---|
| Molecular Weight | 376.06 g/mol |
| LogP | 1.98849 |
| Topological Polar Surface Area | 91.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 376.05515 |
| Heavy Atoms | 25 |
| Complexity | 1019.9993 |
Chemical Identifiers
| CAS Number | 1415602-25-3 |
|---|---|
| SMILES | C1=CC2=C(C(=O)N=C2C=C1)C3=C(N(C(=S)S3)CCCCCC(=O)O)O |
Product Overview
BAS 00555999 (CAS 1415602-25-3), with molecular formula C17H16N2O4S2 and molecular weight 376.06 g/mol. IUPAC: 6-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]hexanoic acid.
Chemical Property Profile of BAS 00555999
Property Insights of BAS 00555999
The XLogP value of 1.98849 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00555999. The TPSA of 91.89 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00555999. Following Lipinski's Rule of Five, BAS 00555999 has 2 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 BAS 00555999?
The CAS number of BAS 00555999 is 1415602-25-3.
What is the molecular formula of BAS 00555999?
The molecular formula of BAS 00555999 is C17H16N2O4S2.
What is the molecular weight of BAS 00555999?
The molecular weight of BAS 00555999 is 376.06 g/mol.
Where can I buy BAS 00555999?
You can request a quote for BAS 00555999 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00555999?
Yes, KEHONG BIO provides custom synthesis services for BAS 00555999 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.