butyl(3-aminocyclopent-2-en-1-ylidene)(cyano)acetate
TL;DR: butyl(3-aminocyclopent-2-en-1-ylidene)(cyano)acetate (CAS 6331-32-4) is a chemical compound with molecular formula C15H8Cl3FN2OS2 and molecular weight 419.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[1-(2,5-dichlorothiophen-3-yl)ethylideneamino]-6-fluoro-1-benzothiophene-2-carboxamide
Also Known As: butyl(3-aminocyclopent-2-en-1-ylidene)(cyano)acetate, 3-chloro-N-[1-(2,5-dichlorothiophen-3-yl)ethylideneamino]-6-fluoro-1-benzothiophene-2-carboxamide, 3-Chloro-N'-[1-(2,5-dichlorothiophen-3-yl)ethylidene]-6-fluoro-1-benzothiophene-2-carbohydrazide, 3-chloro-N-[1-(2,5-dichlorothiophen-3-yl)ethylideneamino]-6-fluoro-benzothiophene-2-carboxamide
| Molecular Formula | C15H8Cl3FN2OS2 |
|---|---|
| Molecular Weight | 419.91 g/mol |
| LogP | 6.2161 |
| Topological Polar Surface Area | 41.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.91278 |
| Heavy Atoms | 24 |
| Complexity | 980.6634 |
Chemical Identifiers
| CAS Number | 6331-32-4 |
|---|---|
| SMILES | CC(=NNC(=O)C1=C(C2=C(S1)C=C(C=C2)F)Cl)C3=C(SC(=C3)Cl)Cl |
Product Overview
butyl(3-aminocyclopent-2-en-1-ylidene)(cyano)acetate (CAS 6331-32-4), with molecular formula C15H8Cl3FN2OS2 and molecular weight 419.91 g/mol. IUPAC: 3-chloro-N-[1-(2,5-dichlorothiophen-3-yl)ethylideneamino]-6-fluoro-1-benzothiophene-2-carboxamide.
Chemical Property Profile of butyl(3-aminocyclopent-2-en-1-ylidene)(cyano)acetate
Property Insights of butyl(3-aminocyclopent-2-en-1-ylidene)(cyano)acetate
The XLogP value of 6.2161 indicates that butyl(3-aminocyclopent-2-en-1-ylidene)(cyano)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.46 Ų, butyl(3-aminocyclopent-2-en-1-ylidene)(cyano)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, butyl(3-aminocyclopent-2-en-1-ylidene)(cyano)acetate has 1 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 butyl(3-aminocyclopent-2-en-1-ylidene)(cyano)acetate?
The CAS number of butyl(3-aminocyclopent-2-en-1-ylidene)(cyano)acetate is 6331-32-4.
What is the molecular formula of butyl(3-aminocyclopent-2-en-1-ylidene)(cyano)acetate?
The molecular formula of butyl(3-aminocyclopent-2-en-1-ylidene)(cyano)acetate is C15H8Cl3FN2OS2.
What is the molecular weight of butyl(3-aminocyclopent-2-en-1-ylidene)(cyano)acetate?
The molecular weight of butyl(3-aminocyclopent-2-en-1-ylidene)(cyano)acetate is 419.91 g/mol.
Where can I buy butyl(3-aminocyclopent-2-en-1-ylidene)(cyano)acetate?
You can request a quote for butyl(3-aminocyclopent-2-en-1-ylidene)(cyano)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for butyl(3-aminocyclopent-2-en-1-ylidene)(cyano)acetate?
Yes, KEHONG BIO provides custom synthesis services for butyl(3-aminocyclopent-2-en-1-ylidene)(cyano)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.