RefChem:325550
TL;DR: RefChem:325550 (CAS 116854-93-4) is a chemical compound with molecular formula C22H21N5O3S3 and molecular weight 499.08066 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-(2-methoxyphenyl)thiourea
Also Known As: Benzenesulfonic acid, 4-((((2-methoxyphenyl)amino)thioxomethyl)amino)-3-methyl-, 2-(2-benzothiazolyl)hydrazide, 1-[4-[(1,3-benzothiazol-2-ylamino)sulfamoyl]-2-methylphenyl]-3-(2-methoxyphenyl)thiourea, 1-[4-[(benzothiazol-2-ylamino)sulfamoyl]-2-methyl-phenyl]-3-(2-methoxyphenyl)thiourea, N-{4-[2-(1,3-Benzothiazol-2-yl)hydrazine-1-sulfonyl]-2-methylphenyl}-N'-(2-methoxyphenyl)thiourea
Technical Specifications
| Molecular Formula | C22H21N5O3S3 |
| Molecular Weight | 499.08066 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 173.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 499.08066 Da |
| Heavy Atoms | 33 |
| Complexity | 765.0 |
| SMILES | CC1=C(C=CC(=C1)S(=O)(=O)NNC2=NC3=CC=CC=C3S2)NC(=S)NC4=CC=CC=C4OC |
| InChIKey | JXVROHOBSNCFND-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:325550
Property Insights of RefChem:325550
The XLogP value of 5.1 indicates that RefChem:325550 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 173.0 Ų indicates high polarity, suggesting RefChem:325550 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:325550 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:325550?
The CAS number of RefChem:325550 is 116854-93-4.
What is the molecular formula of RefChem:325550?
The molecular formula of RefChem:325550 is C22H21N5O3S3.
What is the molecular weight of RefChem:325550?
The molecular weight of RefChem:325550 is 499.08066 g/mol.
Where can I buy RefChem:325550?
You can request a quote for RefChem:325550 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:325550?
Yes, CoreyChem provides custom synthesis services for RefChem:325550 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.