![1-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[4-(pyrrolidine-1-sulfonyl)benzoyl]thiourea structure](/static/products/3972/397289-29-1.webp)
1-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[4-(pyrrolidine-1-sulfonyl)benzoyl]thiourea
TL;DR: 1-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[4-(pyrrolidine-1-sulfonyl)benzoyl]thiourea (CAS 397289-29-1) is a chemical compound with molecular formula C25H22N4O3S3 and molecular weight 522.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-pyrrolidin-1-ylsulfonylbenzamide
Also Known As: 1-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[4-(pyrrolidine-1-sulfonyl)benzoyl]thiourea, F0816-0470, N-((3-(benzo[d]thiazol-2-yl)phenyl)carbamothioyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide, N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-pyrrolidin-1-ylsulfonylbenzamide, N-[(3-benzothiazol-2-ylphenyl)thiocarbamoyl]-4-pyrrolidin-1-ylsulfonyl-benzamide
| Molecular Formula | C25H22N4O3S3 |
|---|---|
| Molecular Weight | 522.09 g/mol |
| LogP | 4.8746 |
| Topological Polar Surface Area | 91.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 522.0854 |
| Heavy Atoms | 35 |
| Complexity | 1475.514 |
Chemical Identifiers
| CAS Number | 397289-29-1 |
|---|---|
| SMILES | C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC(=S)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4 |
Product Overview
1-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[4-(pyrrolidine-1-sulfonyl)benzoyl]thiourea (CAS 397289-29-1), with molecular formula C25H22N4O3S3 and molecular weight 522.09 g/mol. IUPAC: N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-pyrrolidin-1-ylsulfonylbenzamide.
Chemical Property Profile of 1-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[4-(pyrrolidine-1-sulfonyl)benzoyl]thiourea
Property Insights of 1-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[4-(pyrrolidine-1-sulfonyl)benzoyl]thiourea
The XLogP value of 4.8746 indicates that 1-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[4-(pyrrolidine-1-sulfonyl)benzoyl]thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[4-(pyrrolidine-1-sulfonyl)benzoyl]thiourea. Following Lipinski's Rule of Five, 1-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[4-(pyrrolidine-1-sulfonyl)benzoyl]thiourea has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[4-(pyrrolidine-1-sulfonyl)benzoyl]thiourea?
The CAS number of 1-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[4-(pyrrolidine-1-sulfonyl)benzoyl]thiourea is 397289-29-1.
What is the molecular formula of 1-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[4-(pyrrolidine-1-sulfonyl)benzoyl]thiourea?
The molecular formula of 1-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[4-(pyrrolidine-1-sulfonyl)benzoyl]thiourea is C25H22N4O3S3.
What is the molecular weight of 1-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[4-(pyrrolidine-1-sulfonyl)benzoyl]thiourea?
The molecular weight of 1-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[4-(pyrrolidine-1-sulfonyl)benzoyl]thiourea is 522.09 g/mol.
Where can I buy 1-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[4-(pyrrolidine-1-sulfonyl)benzoyl]thiourea?
You can request a quote for 1-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[4-(pyrrolidine-1-sulfonyl)benzoyl]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[4-(pyrrolidine-1-sulfonyl)benzoyl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[4-(pyrrolidine-1-sulfonyl)benzoyl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.