Metahexamide-isothiocyanate
TL;DR: Metahexamide-isothiocyanate (CAS 70324-56-0) is a chemical compound with molecular formula C15H19N3O3S2 and molecular weight 353.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclohexyl-3-(3-isothiocyanato-4-methylphenyl)sulfonylurea
Also Known As: Metahexamide-isothiocyanate, N-((Cyclohexylamino)carbonyl)-3-isothiocyanato-4-methylbenzenesulfonamide, 1-cyclohexyl-3-(3-isothiocyanato-4-methylphenyl)sulfonylurea, Benzenesulfonamide, N-((cyclohexylamino)carbonyl)-3-isothiocyanato-4-methyl-, N'-Cyclohexyl-N-(3-isothiocyanato-4-methylbenzene-1-sulfonyl)carbamimidic acid
| Molecular Formula | C15H19N3O3S2 |
|---|---|
| Molecular Weight | 353.09 g/mol |
| LogP | 3.04992 |
| Topological Polar Surface Area | 87.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.0868 |
| Heavy Atoms | 23 |
| Complexity | 734.33405 |
Chemical Identifiers
| CAS Number | 70324-56-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2)N=C=S |
Product Overview
Metahexamide-isothiocyanate (CAS 70324-56-0), with molecular formula C15H19N3O3S2 and molecular weight 353.09 g/mol. IUPAC: 1-cyclohexyl-3-(3-isothiocyanato-4-methylphenyl)sulfonylurea.
Chemical Property Profile of Metahexamide-isothiocyanate
Property Insights of Metahexamide-isothiocyanate
The XLogP value of 3.04992 indicates that Metahexamide-isothiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Metahexamide-isothiocyanate. Following Lipinski's Rule of Five, Metahexamide-isothiocyanate has 2 hydrogen bond donor(s) and 5 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 Metahexamide-isothiocyanate?
The CAS number of Metahexamide-isothiocyanate is 70324-56-0.
What is the molecular formula of Metahexamide-isothiocyanate?
The molecular formula of Metahexamide-isothiocyanate is C15H19N3O3S2.
What is the molecular weight of Metahexamide-isothiocyanate?
The molecular weight of Metahexamide-isothiocyanate is 353.09 g/mol.
Where can I buy Metahexamide-isothiocyanate?
You can request a quote for Metahexamide-isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Metahexamide-isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for Metahexamide-isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.