RefChem:325555
TL;DR: RefChem:325555 (CAS 116854-85-4) is a chemical compound with molecular formula C20H17N5O2S3 and molecular weight 455.05 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]phenyl]-3-phenylthiourea
Also Known As: Benzenesulfonic acid, 4-(((phenylamino)thioxomethyl)amino)-, 2-(2-benzothiazolyl)hydrazide, 4-(((Phenylamino)thioxomethyl)amino)benzenesulfonic acid 2-(2-benzothiazolyl)hydrazide, 1-[4-[(1,3-benzothiazol-2-ylamino)sulfamoyl]phenyl]-3-phenylthiourea, N-{4-[2-(1,3-Benzothiazol-2-yl)hydrazine-1-sulfonyl]phenyl}-N'-phenylthiourea, RefChem:325555
| Molecular Formula | C20H17N5O2S3 |
|---|---|
| Molecular Weight | 455.05 g/mol |
| LogP | 4.4106 |
| Topological Polar Surface Area | 95.15 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.05444 |
| Heavy Atoms | 30 |
| Complexity | 1239.813 |
Chemical Identifiers
| CAS Number | 116854-85-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NNC3=NC4=CC=CC=C4S3 |
Product Overview
RefChem:325555 (CAS 116854-85-4), with molecular formula C20H17N5O2S3 and molecular weight 455.05 g/mol. IUPAC: 1-[4-[(1,3-benzothiazol-2-ylamino)sulfamoyl]phenyl]-3-phenylthiourea.
Chemical Property Profile of RefChem:325555
Property Insights of RefChem:325555
The XLogP value of 4.4106 indicates that RefChem:325555 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:325555. Following Lipinski's Rule of Five, RefChem:325555 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:325555?
The CAS number of RefChem:325555 is 116854-85-4.
What is the molecular formula of RefChem:325555?
The molecular formula of RefChem:325555 is C20H17N5O2S3.
What is the molecular weight of RefChem:325555?
The molecular weight of RefChem:325555 is 455.05 g/mol.
Where can I buy RefChem:325555?
You can request a quote for RefChem:325555 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:325555?
Yes, KEHONG BIO provides custom synthesis services for RefChem:325555 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.