AB00675672-01
TL;DR: AB00675672-01 (CAS 868142-47-6) is a chemical compound with molecular formula C13H9FN2O5S3 and molecular weight 387.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]ethanesulfonic acid
Also Known As: AB00675672-01, F1691-2810, 2-{5-[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}ethane-1-sulfonic acid, (Z)-2-(5-(5-fluoro-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid, 2-[(5Z)-5-(5-fluoro-2-oxo-1H-indol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
| Molecular Formula | C13H9FN2O5S3 |
|---|---|
| Molecular Weight | 387.97 g/mol |
| LogP | 0.37039 |
| Topological Polar Surface Area | 108.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.96576 |
| Heavy Atoms | 24 |
| Complexity | 1147.2455 |
Chemical Identifiers
| CAS Number | 868142-47-6 |
|---|---|
| SMILES | C1=CC2=NC(=O)C(=C2C=C1F)C3=C(N(C(=S)S3)CCS(=O)(=O)O)O |
Product Overview
AB00675672-01 (CAS 868142-47-6), with molecular formula C13H9FN2O5S3 and molecular weight 387.97 g/mol. IUPAC: 2-[5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]ethanesulfonic acid.
Chemical Property Profile of AB00675672-01
Property Insights of AB00675672-01
The XLogP value of 0.37039 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00675672-01. The TPSA of 108.96 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00675672-01. Following Lipinski's Rule of Five, AB00675672-01 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 AB00675672-01?
The CAS number of AB00675672-01 is 868142-47-6.
What is the molecular formula of AB00675672-01?
The molecular formula of AB00675672-01 is C13H9FN2O5S3.
What is the molecular weight of AB00675672-01?
The molecular weight of AB00675672-01 is 387.97 g/mol.
Where can I buy AB00675672-01?
You can request a quote for AB00675672-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00675672-01?
Yes, KEHONG BIO provides custom synthesis services for AB00675672-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.