AB00114330-01
TL;DR: AB00114330-01 (CAS 381194-75-8) is a chemical compound with molecular formula C20H15FN2O5S3 and molecular weight 478.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
Also Known As: AB00114330-01, 2-[(5Z)-5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid, (Z)-2-(5-(1-(4-fluorobenzyl)-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid, 2-{(5Z)-5-[1-(4-fluorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}ethanesulfonic acid
| Molecular Formula | C20H15FN2O5S3 |
|---|---|
| Molecular Weight | 478.01 g/mol |
| LogP | 2.8317 |
| Topological Polar Surface Area | 94.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 478.01273 |
| Heavy Atoms | 31 |
| Complexity | 1241.7166 |
Chemical Identifiers
| CAS Number | 381194-75-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)/C(=C/3\C(=O)N(C(=S)S3)CCS(=O)(=O)O)/C(=O)N2CC4=CC=C(C=C4)F |
Product Overview
AB00114330-01 (CAS 381194-75-8), with molecular formula C20H15FN2O5S3 and molecular weight 478.01 g/mol. IUPAC: 2-[(5Z)-5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid.
Chemical Property Profile of AB00114330-01
Property Insights of AB00114330-01
The XLogP value of 2.8317 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00114330-01. The TPSA of 94.99 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00114330-01. Following Lipinski's Rule of Five, AB00114330-01 has 1 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 AB00114330-01?
The CAS number of AB00114330-01 is 381194-75-8.
What is the molecular formula of AB00114330-01?
The molecular formula of AB00114330-01 is C20H15FN2O5S3.
What is the molecular weight of AB00114330-01?
The molecular weight of AB00114330-01 is 478.01 g/mol.
Where can I buy AB00114330-01?
You can request a quote for AB00114330-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00114330-01?
Yes, KEHONG BIO provides custom synthesis services for AB00114330-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.