4-(4-chloro-2-methylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
TL;DR: 4-(4-chloro-2-methylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide (CAS 545430-46-4) is a chemical compound with molecular formula C18H16ClN3O4S and molecular weight 405.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chloro-2-methylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
Also Known As: 4-(4-chloro-2-methylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide, 4-(4-chloro-2-methylphenoxy)-N-(6-nitrobenzothiazol-2-yl)butanamide
| Molecular Formula | C18H16ClN3O4S |
|---|---|
| Molecular Weight | 405.06 g/mol |
| LogP | 4.96402 |
| Topological Polar Surface Area | 94.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 405.055 |
| Heavy Atoms | 27 |
| Complexity | 1005.4355 |
Chemical Identifiers
| CAS Number | 545430-46-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OCCCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-] |
Product Overview
4-(4-chloro-2-methylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide (CAS 545430-46-4), with molecular formula C18H16ClN3O4S and molecular weight 405.06 g/mol. IUPAC: 4-(4-chloro-2-methylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide.
Chemical Property Profile of 4-(4-chloro-2-methylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
Property Insights of 4-(4-chloro-2-methylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
The XLogP value of 4.96402 indicates that 4-(4-chloro-2-methylphenoxy)-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 94.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-chloro-2-methylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide. Following Lipinski's Rule of Five, 4-(4-chloro-2-methylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4-chloro-2-methylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide?
The CAS number of 4-(4-chloro-2-methylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide is 545430-46-4.
What is the molecular formula of 4-(4-chloro-2-methylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide?
The molecular formula of 4-(4-chloro-2-methylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide is C18H16ClN3O4S.
What is the molecular weight of 4-(4-chloro-2-methylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide?
The molecular weight of 4-(4-chloro-2-methylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide is 405.06 g/mol.
Where can I buy 4-(4-chloro-2-methylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide?
You can request a quote for 4-(4-chloro-2-methylphenoxy)-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-(4-chloro-2-methylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-chloro-2-methylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.