RefChem:325554
TL;DR: RefChem:325554 (CAS 116854-94-5) is a chemical compound with molecular formula C21H25N5O2S3 and molecular weight 475.11703 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-[(1,3-benzothiazol-2-ylamino)sulfamoyl]-2-methylphenyl]-3-cyclohexylthiourea
Also Known As: Benzenesulfonic acid, 4-(((cyclohexylamino)thioxomethyl)amino)-3-methyl-, 2-2-benzothiazolyl)hydrazide, 1-[4-[(1,3-benzothiazol-2-ylamino)sulfamoyl]-2-methylphenyl]-3-cyclohexylthiourea, 3-[4-[(benzothiazol-2-ylamino)sulfamoyl]-2-methyl-phenyl]-1-cyclohexyl-thiourea, N-{4-[2-(1,3-Benzothiazol-2-yl)hydrazine-1-sulfonyl]-2-methylphenyl}-N'-cyclohexylthiourea
Technical Specifications
| Molecular Formula | C21H25N5O2S3 |
| Molecular Weight | 475.11703 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 164.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 475.11703 Da |
| Heavy Atoms | 31 |
| Complexity | 710.0 |
| SMILES | CC1=C(C=CC(=C1)S(=O)(=O)NNC2=NC3=CC=CC=C3S2)NC(=S)NC4CCCCC4 |
| InChIKey | QRZLRCVLTIJGOQ-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:325554
Property Insights of RefChem:325554
The XLogP value of 5.3 indicates that RefChem:325554 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 164.0 Ų indicates high polarity, suggesting RefChem:325554 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:325554 has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:325554?
The CAS number of RefChem:325554 is 116854-94-5.
What is the molecular formula of RefChem:325554?
The molecular formula of RefChem:325554 is C21H25N5O2S3.
What is the molecular weight of RefChem:325554?
The molecular weight of RefChem:325554 is 475.11703 g/mol.
Where can I buy RefChem:325554?
You can request a quote for RefChem:325554 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:325554?
Yes, CoreyChem provides custom synthesis services for RefChem:325554 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.