![3-chloro-N'-[3-(4-fluorophenyl)acryloyl]-1-benzothiophene-2-carbohydrazide structure](/static/products/514/514796-17-9.png)
3-chloro-N'-[3-(4-fluorophenyl)acryloyl]-1-benzothiophene-2-carbohydrazide
TL;DR: 3-chloro-N'-[3-(4-fluorophenyl)acryloyl]-1-benzothiophene-2-carbohydrazide (CAS 514796-17-9) is a chemical compound with molecular formula C18H12ClFN2O2S and molecular weight 374.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N'-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-1-benzothiophene-2-carbohydrazide
Also Known As: 3-chloro-N'-[3-(4-fluorophenyl)acryloyl]-1-benzothiophene-2-carbohydrazide, 3-chloro-N'-[(2E)-3-(4-fluorophenyl)prop-2-enoyl]-1-benzothiophene-2-carbohydrazide, 3-chloro-N'-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-1-benzothiophene-2-carbohydrazide
| Molecular Formula | C18H12ClFN2O2S |
|---|---|
| Molecular Weight | 374.03 g/mol |
| LogP | 4.1682 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.0292 |
| Heavy Atoms | 25 |
| Complexity | 966.87146 |
Chemical Identifiers
| CAS Number | 514796-17-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2)C(=O)NNC(=O)/C=C/C3=CC=C(C=C3)F)Cl |
Product Overview
3-chloro-N'-[3-(4-fluorophenyl)acryloyl]-1-benzothiophene-2-carbohydrazide (CAS 514796-17-9), with molecular formula C18H12ClFN2O2S and molecular weight 374.03 g/mol. IUPAC: 3-chloro-N'-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-1-benzothiophene-2-carbohydrazide.
Chemical Property Profile of 3-chloro-N'-[3-(4-fluorophenyl)acryloyl]-1-benzothiophene-2-carbohydrazide
Property Insights of 3-chloro-N'-[3-(4-fluorophenyl)acryloyl]-1-benzothiophene-2-carbohydrazide
The XLogP value of 4.1682 indicates that 3-chloro-N'-[3-(4-fluorophenyl)acryloyl]-1-benzothiophene-2-carbohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, 3-chloro-N'-[3-(4-fluorophenyl)acryloyl]-1-benzothiophene-2-carbohydrazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-N'-[3-(4-fluorophenyl)acryloyl]-1-benzothiophene-2-carbohydrazide has 2 hydrogen bond donor(s) and 3 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 3-chloro-N'-[3-(4-fluorophenyl)acryloyl]-1-benzothiophene-2-carbohydrazide?
The CAS number of 3-chloro-N'-[3-(4-fluorophenyl)acryloyl]-1-benzothiophene-2-carbohydrazide is 514796-17-9.
What is the molecular formula of 3-chloro-N'-[3-(4-fluorophenyl)acryloyl]-1-benzothiophene-2-carbohydrazide?
The molecular formula of 3-chloro-N'-[3-(4-fluorophenyl)acryloyl]-1-benzothiophene-2-carbohydrazide is C18H12ClFN2O2S.
What is the molecular weight of 3-chloro-N'-[3-(4-fluorophenyl)acryloyl]-1-benzothiophene-2-carbohydrazide?
The molecular weight of 3-chloro-N'-[3-(4-fluorophenyl)acryloyl]-1-benzothiophene-2-carbohydrazide is 374.03 g/mol.
Where can I buy 3-chloro-N'-[3-(4-fluorophenyl)acryloyl]-1-benzothiophene-2-carbohydrazide?
You can request a quote for 3-chloro-N'-[3-(4-fluorophenyl)acryloyl]-1-benzothiophene-2-carbohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N'-[3-(4-fluorophenyl)acryloyl]-1-benzothiophene-2-carbohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N'-[3-(4-fluorophenyl)acryloyl]-1-benzothiophene-2-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.