Crabescein
TL;DR: Crabescein (CAS 102072-98-0) is a chemical compound with molecular formula C25H22N2O5S2 and molecular weight 494.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-hydroxy-6-oxoxanthen-9-yl)-1-N,3-N-bis(2-sulfanylethyl)benzene-1,3-dicarboxamide
Also Known As: Crabescein, 4-(3-hydroxy-6-oxoxanthen-9-yl)-1-N,3-N-bis(2-sulfanylethyl)benzene-1,3-dicarboxamide, 1,3-Benzenedicarboxamide, 4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-N,N'-bis(2-mercaptoethyl)-, 1,3-Benzenedicarboxamide,4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-N,N'-bis(2-mercaptoethyl), 4-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-N~1~,N~3~-bis(2-sulfanylethyl)benzene-1,3-dicarboxamide
| Molecular Formula | C25H22N2O5S2 |
|---|---|
| Molecular Weight | 494.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 494.09702 |
| Heavy Atoms | 34 |
| Complexity | 915.0 |
Chemical Identifiers
| CAS Number | 102072-98-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)NCCS)C(=O)NCCS)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O |
| InChIKey | RZINWHUVTCOTLY-UHFFFAOYSA-N |
Product Overview
Crabescein (CAS 102072-98-0), with molecular formula C25H22N2O5S2 and molecular weight 494.10 g/mol. IUPAC: 4-(3-hydroxy-6-oxoxanthen-9-yl)-1-N,3-N-bis(2-sulfanylethyl)benzene-1,3-dicarboxamide.
Chemical Property Profile of Crabescein
Property Insights of Crabescein
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Crabescein. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Crabescein. Following Lipinski's Rule of Five, Crabescein has 5 hydrogen bond donor(s) and 7 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 Crabescein?
The CAS number of Crabescein is 102072-98-0.
What is the molecular formula of Crabescein?
The molecular formula of Crabescein is C25H22N2O5S2.
What is the molecular weight of Crabescein?
The molecular weight of Crabescein is 494.10 g/mol.
Where can I buy Crabescein?
You can request a quote for Crabescein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crabescein?
Yes, KEHONG BIO provides custom synthesis services for Crabescein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.