iKIX1
TL;DR: iKIX1 (CAS 656222-54-7) is a chemical compound with molecular formula C10H8Cl2N4OS and molecular weight 301.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-cyanoacetyl)amino]-3-(3,4-dichlorophenyl)thiourea
Also Known As: iKIX1, Maybridge1_002833, 2-CYANO-N-{[(3,4-DICHLOROPHENYL)CARBAMOTHIOYL]AMINO}ACETAMIDE, DivK1c_001585, CDS1_000545
| Molecular Formula | C10H8Cl2N4OS |
|---|---|
| Molecular Weight | 301.98 g/mol |
| LogP | 2.22468 |
| Topological Polar Surface Area | 76.95 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.97958 |
| Heavy Atoms | 18 |
| Complexity | 515.0894 |
Chemical Identifiers
| CAS Number | 656222-54-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC(=S)NNC(=O)CC#N)Cl)Cl |
Product Overview
iKIX1 (CAS 656222-54-7), with molecular formula C10H8Cl2N4OS and molecular weight 301.98 g/mol. IUPAC: 1-[(2-cyanoacetyl)amino]-3-(3,4-dichlorophenyl)thiourea.
Chemical Property Profile of iKIX1
Property Insights of iKIX1
The XLogP value of 2.22468 suggests moderate lipophilicity, balancing water solubility and membrane permeability for iKIX1. The TPSA of 76.95 Ų falls within the moderate polarity range, balancing permeability and solubility for iKIX1. Following Lipinski's Rule of Five, iKIX1 has 3 hydrogen bond donor(s) and 3 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 iKIX1?
The CAS number of iKIX1 is 656222-54-7.
What is the molecular formula of iKIX1?
The molecular formula of iKIX1 is C10H8Cl2N4OS.
What is the molecular weight of iKIX1?
The molecular weight of iKIX1 is 301.98 g/mol.
Where can I buy iKIX1?
You can request a quote for iKIX1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for iKIX1?
Yes, KEHONG BIO provides custom synthesis services for iKIX1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.