NCI60_002060
TL;DR: NCI60_002060 (CAS 6937-93-5) is a chemical compound with molecular formula C20H16N2O8S and molecular weight 444.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[4-(3-carboxyprop-2-enoylamino)phenyl]sulfonylanilino]-4-oxobut-2-enoic acid
Also Known As: NCI60_002060, 4-(4-((4-((3-Carboxyacryloyl)amino)phenyl)sulfonyl)anilino)-4-oxo-2-butenoic acid, 4-[4-[4-[(4-hydroxy-4-oxobut-2-enoyl)amino]phenyl]sulfonylanilino]-4-oxobut-2-enoic acid
| Molecular Formula | C20H16N2O8S |
|---|---|
| Molecular Weight | 444.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 444.06274 |
| Heavy Atoms | 31 |
| Complexity | 779.0 |
Chemical Identifiers
| CAS Number | 6937-93-5 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)C=CC(=O)O)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C=CC(=O)O |
| InChIKey | NDVQFCYOAORVKK-UHFFFAOYSA-N |
Product Overview
NCI60_002060 (CAS 6937-93-5), with molecular formula C20H16N2O8S and molecular weight 444.06 g/mol. IUPAC: 4-[4-[4-(3-carboxyprop-2-enoylamino)phenyl]sulfonylanilino]-4-oxobut-2-enoic acid.
Chemical Property Profile of NCI60_002060
Property Insights of NCI60_002060
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_002060. The TPSA of 175.0 Ų indicates high polarity, suggesting NCI60_002060 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NCI60_002060 has 4 hydrogen bond donor(s) and 8 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 NCI60_002060?
The CAS number of NCI60_002060 is 6937-93-5.
What is the molecular formula of NCI60_002060?
The molecular formula of NCI60_002060 is C20H16N2O8S.
What is the molecular weight of NCI60_002060?
The molecular weight of NCI60_002060 is 444.06 g/mol.
Where can I buy NCI60_002060?
You can request a quote for NCI60_002060 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_002060?
Yes, KEHONG BIO provides custom synthesis services for NCI60_002060 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.