![N-(4-{N-[(3-chloro-6-fluoro-1-benzothien-2-yl)carbonyl]ethanehydrazonoyl}phenyl)propanamide structure](/static/products/445/445022-71-9.png)
N-(4-{N-[(3-chloro-6-fluoro-1-benzothien-2-yl)carbonyl]ethanehydrazonoyl}phenyl)propanamide
TL;DR: N-(4-{N-[(3-chloro-6-fluoro-1-benzothien-2-yl)carbonyl]ethanehydrazonoyl}phenyl)propanamide (CAS 445022-71-9) is a chemical compound with molecular formula C20H17ClFN3O2S and molecular weight 417.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-6-fluoro-N-[(E)-1-[4-(propanoylamino)phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide
Also Known As: N-(4-{N-[(3-chloro-6-fluoro-1-benzothien-2-yl)carbonyl]ethanehydrazonoyl}phenyl)propanamide, 3-chloro-6-fluoro-N-[(E)-1-[4-(propanoylamino)phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide, N-(4-{(1E)-2-[(3-chloro-6-fluorobenzo[b]thiophen-2-yl)carbonylamino]-1-methyl- 2-azavinyl}phenyl)propanamide, N-{4-[(1E)-1-{2-[(3-chloro-6-fluoro-1-benzothiophen-2-yl)carbonyl]hydrazinylidene}ethyl]phenyl}propanamide
| Molecular Formula | C20H17ClFN3O2S |
|---|---|
| Molecular Weight | 417.07 g/mol |
| LogP | 5.1963 |
| Topological Polar Surface Area | 70.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.0714 |
| Heavy Atoms | 28 |
| Complexity | 1076.9944 |
Chemical Identifiers
| CAS Number | 445022-71-9 |
|---|---|
| SMILES | CCC(=O)NC1=CC=C(C=C1)/C(=N/NC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)/C |
Product Overview
N-(4-{N-[(3-chloro-6-fluoro-1-benzothien-2-yl)carbonyl]ethanehydrazonoyl}phenyl)propanamide (CAS 445022-71-9), with molecular formula C20H17ClFN3O2S and molecular weight 417.07 g/mol. IUPAC: 3-chloro-6-fluoro-N-[(E)-1-[4-(propanoylamino)phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide.
Chemical Property Profile of N-(4-{N-[(3-chloro-6-fluoro-1-benzothien-2-yl)carbonyl]ethanehydrazonoyl}phenyl)propanamide
Property Insights of N-(4-{N-[(3-chloro-6-fluoro-1-benzothien-2-yl)carbonyl]ethanehydrazonoyl}phenyl)propanamide
The XLogP value of 5.1963 indicates that N-(4-{N-[(3-chloro-6-fluoro-1-benzothien-2-yl)carbonyl]ethanehydrazonoyl}phenyl)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.56 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-{N-[(3-chloro-6-fluoro-1-benzothien-2-yl)carbonyl]ethanehydrazonoyl}phenyl)propanamide. Following Lipinski's Rule of Five, N-(4-{N-[(3-chloro-6-fluoro-1-benzothien-2-yl)carbonyl]ethanehydrazonoyl}phenyl)propanamide has 2 hydrogen bond donor(s) and 4 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-{N-[(3-chloro-6-fluoro-1-benzothien-2-yl)carbonyl]ethanehydrazonoyl}phenyl)propanamide?
The CAS number of N-(4-{N-[(3-chloro-6-fluoro-1-benzothien-2-yl)carbonyl]ethanehydrazonoyl}phenyl)propanamide is 445022-71-9.
What is the molecular formula of N-(4-{N-[(3-chloro-6-fluoro-1-benzothien-2-yl)carbonyl]ethanehydrazonoyl}phenyl)propanamide?
The molecular formula of N-(4-{N-[(3-chloro-6-fluoro-1-benzothien-2-yl)carbonyl]ethanehydrazonoyl}phenyl)propanamide is C20H17ClFN3O2S.
What is the molecular weight of N-(4-{N-[(3-chloro-6-fluoro-1-benzothien-2-yl)carbonyl]ethanehydrazonoyl}phenyl)propanamide?
The molecular weight of N-(4-{N-[(3-chloro-6-fluoro-1-benzothien-2-yl)carbonyl]ethanehydrazonoyl}phenyl)propanamide is 417.07 g/mol.
Where can I buy N-(4-{N-[(3-chloro-6-fluoro-1-benzothien-2-yl)carbonyl]ethanehydrazonoyl}phenyl)propanamide?
You can request a quote for N-(4-{N-[(3-chloro-6-fluoro-1-benzothien-2-yl)carbonyl]ethanehydrazonoyl}phenyl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-{N-[(3-chloro-6-fluoro-1-benzothien-2-yl)carbonyl]ethanehydrazonoyl}phenyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-{N-[(3-chloro-6-fluoro-1-benzothien-2-yl)carbonyl]ethanehydrazonoyl}phenyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.