![N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide structure](/static/products/7659/765926-85-0.webp)
N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide
TL;DR: N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide (CAS 765926-85-0) is a chemical compound with molecular formula C25H22N4O3S and molecular weight 458.14 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)-2-methylphenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
Also Known As: N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide, N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide, N-(3-benzothiazol-2-yl-2-methylphenyl)(3-nitro-4-pyrrolidinylphenyl)carboxamid e, N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide
| Molecular Formula | C25H22N4O3S |
|---|---|
| Molecular Weight | 458.14 g/mol |
| LogP | 6.03242 |
| Topological Polar Surface Area | 88.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.14127 |
| Heavy Atoms | 33 |
| Complexity | 1342.3472 |
Chemical Identifiers
| CAS Number | 765926-85-0 |
|---|---|
| SMILES | CC1=C(C=CC=C1NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C4=NC5=CC=CC=C5S4 |
Product Overview
N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide (CAS 765926-85-0), with molecular formula C25H22N4O3S and molecular weight 458.14 g/mol. IUPAC: N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide.
Chemical Property Profile of N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide
Property Insights of N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide
The XLogP value of 6.03242 indicates that N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.37 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide. Following Lipinski's Rule of Five, N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide has 1 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 N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide?
The CAS number of N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide is 765926-85-0.
What is the molecular formula of N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide?
The molecular formula of N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide is C25H22N4O3S.
What is the molecular weight of N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide?
The molecular weight of N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide is 458.14 g/mol.
Where can I buy N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide?
You can request a quote for N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.