RefChem:325542
TL;DR: RefChem:325542 (CAS 116854-91-2) is a chemical compound with molecular formula C22H21N5O2S3 and molecular weight 483.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[(1,3-benzothiazol-2-ylamino)sulfamoyl]-2-methylphenyl]-3-benzylthiourea
Also Known As: Benzenesulfonic acid, 3-methyl-4-((((phenylmethyl)amino)thioxomethyl)amino)-, 2-(2-benzothiazolyl)hydrazide, 1-[4-[(1,3-benzothiazol-2-ylamino)sulfamoyl]-2-methylphenyl]-3-benzylthiourea, 1-[4-[(benzothiazol-2-ylamino)sulfamoyl]-2-methyl-phenyl]-3-benzyl-thiourea, N-{4-[2-(1,3-Benzothiazol-2-yl)hydrazine-1-sulfonyl]-2-methylphenyl}-N'-benzylthiourea, RefChem:325542
| Molecular Formula | C22H21N5O2S3 |
|---|---|
| Molecular Weight | 483.09 g/mol |
| LogP | 4.39672 |
| Topological Polar Surface Area | 95.15 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 483.08572 |
| Heavy Atoms | 32 |
| Complexity | 1321.5212 |
Chemical Identifiers
| CAS Number | 116854-91-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)S(=O)(=O)NNC2=NC3=CC=CC=C3S2)NC(=S)NCC4=CC=CC=C4 |
Product Overview
RefChem:325542 (CAS 116854-91-2), with molecular formula C22H21N5O2S3 and molecular weight 483.09 g/mol. IUPAC: 1-[4-[(1,3-benzothiazol-2-ylamino)sulfamoyl]-2-methylphenyl]-3-benzylthiourea.
Chemical Property Profile of RefChem:325542
Property Insights of RefChem:325542
The XLogP value of 4.39672 indicates that RefChem:325542 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.15 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:325542. Following Lipinski's Rule of Five, RefChem:325542 has 4 hydrogen bond donor(s) and 6 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 RefChem:325542?
The CAS number of RefChem:325542 is 116854-91-2.
What is the molecular formula of RefChem:325542?
The molecular formula of RefChem:325542 is C22H21N5O2S3.
What is the molecular weight of RefChem:325542?
The molecular weight of RefChem:325542 is 483.09 g/mol.
Where can I buy RefChem:325542?
You can request a quote for RefChem:325542 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:325542?
Yes, KEHONG BIO provides custom synthesis services for RefChem:325542 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.