ClpB-IN-1
TL;DR: ClpB-IN-1 (CAS 324547-06-0) is a chemical compound with molecular formula C14H10N2O2S2 and molecular weight 302.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one
Also Known As: ClpB-IN-1, ChemDiv3_002687, MM01, BAS 00918556, AB00099045-01
| Molecular Formula | C14H10N2O2S2 |
|---|---|
| Molecular Weight | 302.02 g/mol |
| LogP | 1.52949 |
| Topological Polar Surface Area | 54.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.01837 |
| Heavy Atoms | 20 |
| Complexity | 905.9856 |
Chemical Identifiers
| CAS Number | 324547-06-0 |
|---|---|
| SMILES | C=CCN1C(=C(SC1=S)C2=C3C=CC=CC3=NC2=O)O |
Product Overview
ClpB-IN-1 (CAS 324547-06-0), with molecular formula C14H10N2O2S2 and molecular weight 302.02 g/mol. IUPAC: 3-(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one.
Chemical Property Profile of ClpB-IN-1
Property Insights of ClpB-IN-1
The XLogP value of 1.52949 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ClpB-IN-1. With a topological polar surface area (TPSA) of 54.59 Ų, ClpB-IN-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ClpB-IN-1 has 1 hydrogen bond donor(s) and 4 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 ClpB-IN-1?
The CAS number of ClpB-IN-1 is 324547-06-0.
What is the molecular formula of ClpB-IN-1?
The molecular formula of ClpB-IN-1 is C14H10N2O2S2.
What is the molecular weight of ClpB-IN-1?
The molecular weight of ClpB-IN-1 is 302.02 g/mol.
Where can I buy ClpB-IN-1?
You can request a quote for ClpB-IN-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ClpB-IN-1?
Yes, KEHONG BIO provides custom synthesis services for ClpB-IN-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.