![N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide structure](/static/products/3136/313646-52-5.webp)
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
TL;DR: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide (CAS 313646-52-5) is a chemical compound with molecular formula C25H23N3O3S2 and molecular weight 477.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
Also Known As: DivK1c_005482, CDS1_004442, BIM-0030330.P001, N-[4-(6-METHYL-1,3-BENZOTHIAZOL-2-YL)PHENYL]-4-(PYRROLIDINE-1-SULFONYL)BENZAMIDE, F0012-0455
| Molecular Formula | C25H23N3O3S2 |
|---|---|
| Molecular Weight | 477.12 g/mol |
| LogP | 5.30852 |
| Topological Polar Surface Area | 79.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 477.11807 |
| Heavy Atoms | 33 |
| Complexity | 1420.2959 |
Chemical Identifiers
| CAS Number | 313646-52-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5 |
Product Overview
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide (CAS 313646-52-5), with molecular formula C25H23N3O3S2 and molecular weight 477.12 g/mol. IUPAC: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide.
Chemical Property Profile of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
Property Insights of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
The XLogP value of 5.30852 indicates that N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.37 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide. Following Lipinski's Rule of Five, N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The CAS number of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide is 313646-52-5.
What is the molecular formula of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The molecular formula of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide is C25H23N3O3S2.
What is the molecular weight of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The molecular weight of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide is 477.12 g/mol.
Where can I buy N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
You can request a quote for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.