4-(2,4-dichlorophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
TL;DR: 4-(2,4-dichlorophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide (CAS 329932-91-4) is a chemical compound with molecular formula C17H13Cl2N3O3S and molecular weight 409.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,4-dichlorophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
Also Known As: 2,4-Dichloro-N-(6-nitro-2-benzothiazolyl)benzenebutanamide, 4-(2,4-dichlorophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide, 4-(2,4-dichlorophenyl)-N-(6-nitrobenzothiazol-2-yl)butanamide
| Molecular Formula | C17H13Cl2N3O3S |
|---|---|
| Molecular Weight | 409.01 g/mol |
| LogP | 5.4727 |
| Topological Polar Surface Area | 85.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.00546 |
| Heavy Atoms | 26 |
| Complexity | 990.5436 |
Chemical Identifiers
| CAS Number | 329932-91-4 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=O)CCCC3=C(C=C(C=C3)Cl)Cl |
Product Overview
4-(2,4-dichlorophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide (CAS 329932-91-4), with molecular formula C17H13Cl2N3O3S and molecular weight 409.01 g/mol. IUPAC: 4-(2,4-dichlorophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide.
Chemical Property Profile of 4-(2,4-dichlorophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
Property Insights of 4-(2,4-dichlorophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
The XLogP value of 5.4727 indicates that 4-(2,4-dichlorophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,4-dichlorophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide. Following Lipinski's Rule of Five, 4-(2,4-dichlorophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide 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 4-(2,4-dichlorophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide?
The CAS number of 4-(2,4-dichlorophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide is 329932-91-4.
What is the molecular formula of 4-(2,4-dichlorophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide?
The molecular formula of 4-(2,4-dichlorophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide is C17H13Cl2N3O3S.
What is the molecular weight of 4-(2,4-dichlorophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide?
The molecular weight of 4-(2,4-dichlorophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide is 409.01 g/mol.
Where can I buy 4-(2,4-dichlorophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide?
You can request a quote for 4-(2,4-dichlorophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,4-dichlorophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,4-dichlorophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.