4-(1,3-Benzothiazol-2-yl)-5-(3-nitro-4-pyrrolidin-1-ylphenyl)pent-4-enoic acid
TL;DR: 4-(1,3-Benzothiazol-2-yl)-5-(3-nitro-4-pyrrolidin-1-ylphenyl)pent-4-enoic acid (CAS 5567-72-6) is a chemical compound with molecular formula C22H21N3O4S and molecular weight 423.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzothiazol-2-yl)-5-(3-nitro-4-pyrrolidin-1-ylphenyl)pent-4-enoic acid
Also Known As: 4-(1,3-benzothiazol-2-yl)-5-(3-nitro-4-pyrrolidin-1-ylphenyl)pent-4-enoic acid, 4-benzothiazol-2-yl-5-(3-nitro-4-pyrrolidin-1-yl-phenyl)pent-4-enoic Acid, 4-(1,3-benzothiazol-2-yl)-5-[3-nitro-4-(pyrrolidin-1-yl)phenyl]pent-4-enoic acid
| Molecular Formula | C22H21N3O4S |
|---|---|
| Molecular Weight | 423.13 g/mol |
| LogP | 5.2101 |
| Topological Polar Surface Area | 96.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 423.12527 |
| Heavy Atoms | 30 |
| Complexity | 1099.368 |
Chemical Identifiers
| CAS Number | 5567-72-6 |
|---|---|
| SMILES | C1CCN(C1)C2=C(C=C(C=C2)C=C(CCC(=O)O)C3=NC4=CC=CC=C4S3)[N+](=O)[O-] |
Product Overview
4-(1,3-Benzothiazol-2-yl)-5-(3-nitro-4-pyrrolidin-1-ylphenyl)pent-4-enoic acid (CAS 5567-72-6), with molecular formula C22H21N3O4S and molecular weight 423.13 g/mol. IUPAC: 4-(1,3-benzothiazol-2-yl)-5-(3-nitro-4-pyrrolidin-1-ylphenyl)pent-4-enoic acid.
Chemical Property Profile of 4-(1,3-Benzothiazol-2-yl)-5-(3-nitro-4-pyrrolidin-1-ylphenyl)pent-4-enoic acid
Property Insights of 4-(1,3-Benzothiazol-2-yl)-5-(3-nitro-4-pyrrolidin-1-ylphenyl)pent-4-enoic acid
The XLogP value of 5.2101 indicates that 4-(1,3-Benzothiazol-2-yl)-5-(3-nitro-4-pyrrolidin-1-ylphenyl)pent-4-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-Benzothiazol-2-yl)-5-(3-nitro-4-pyrrolidin-1-ylphenyl)pent-4-enoic acid. Following Lipinski's Rule of Five, 4-(1,3-Benzothiazol-2-yl)-5-(3-nitro-4-pyrrolidin-1-ylphenyl)pent-4-enoic acid 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 4-(1,3-Benzothiazol-2-yl)-5-(3-nitro-4-pyrrolidin-1-ylphenyl)pent-4-enoic acid?
The CAS number of 4-(1,3-Benzothiazol-2-yl)-5-(3-nitro-4-pyrrolidin-1-ylphenyl)pent-4-enoic acid is 5567-72-6.
What is the molecular formula of 4-(1,3-Benzothiazol-2-yl)-5-(3-nitro-4-pyrrolidin-1-ylphenyl)pent-4-enoic acid?
The molecular formula of 4-(1,3-Benzothiazol-2-yl)-5-(3-nitro-4-pyrrolidin-1-ylphenyl)pent-4-enoic acid is C22H21N3O4S.
What is the molecular weight of 4-(1,3-Benzothiazol-2-yl)-5-(3-nitro-4-pyrrolidin-1-ylphenyl)pent-4-enoic acid?
The molecular weight of 4-(1,3-Benzothiazol-2-yl)-5-(3-nitro-4-pyrrolidin-1-ylphenyl)pent-4-enoic acid is 423.13 g/mol.
Where can I buy 4-(1,3-Benzothiazol-2-yl)-5-(3-nitro-4-pyrrolidin-1-ylphenyl)pent-4-enoic acid?
You can request a quote for 4-(1,3-Benzothiazol-2-yl)-5-(3-nitro-4-pyrrolidin-1-ylphenyl)pent-4-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-Benzothiazol-2-yl)-5-(3-nitro-4-pyrrolidin-1-ylphenyl)pent-4-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Benzothiazol-2-yl)-5-(3-nitro-4-pyrrolidin-1-ylphenyl)pent-4-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.