(E)-N-allyl-2-(3-((2-fluorophenoxy)methyl)-4-methoxybenzylidene)hydrazinecarbothioamide
TL;DR: (E)-N-allyl-2-(3-((2-fluorophenoxy)methyl)-4-methoxybenzylidene)hydrazinecarbothioamide (CAS 527754-48-9) is a chemical compound with molecular formula C19H20FN3O2S and molecular weight 373.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3-prop-2-enylthiourea
Also Known As: (E)-N-allyl-2-(3-((2-fluorophenoxy)methyl)-4-methoxybenzylidene)hydrazinecarbothioamide, (2E)-2-{3-[(2-fluorophenoxy)methyl]-4-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide, [((1E)-2-{3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl}-1-azavinyl)amino](prop- 2-enylamino)methane-1-thione, 1-[(E)-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3-prop-2-enylthiourea
| Molecular Formula | C19H20FN3O2S |
|---|---|
| Molecular Weight | 373.13 g/mol |
| LogP | 3.3973 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 373.12604 |
| Heavy Atoms | 26 |
| Complexity | 796.10376 |
Chemical Identifiers
| CAS Number | 527754-48-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=N/NC(=S)NCC=C)COC2=CC=CC=C2F |
Product Overview
(E)-N-allyl-2-(3-((2-fluorophenoxy)methyl)-4-methoxybenzylidene)hydrazinecarbothioamide (CAS 527754-48-9), with molecular formula C19H20FN3O2S and molecular weight 373.13 g/mol. IUPAC: 1-[(E)-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3-prop-2-enylthiourea.
Chemical Property Profile of (E)-N-allyl-2-(3-((2-fluorophenoxy)methyl)-4-methoxybenzylidene)hydrazinecarbothioamide
Property Insights of (E)-N-allyl-2-(3-((2-fluorophenoxy)methyl)-4-methoxybenzylidene)hydrazinecarbothioamide
The XLogP value of 3.3973 indicates that (E)-N-allyl-2-(3-((2-fluorophenoxy)methyl)-4-methoxybenzylidene)hydrazinecarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, (E)-N-allyl-2-(3-((2-fluorophenoxy)methyl)-4-methoxybenzylidene)hydrazinecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-N-allyl-2-(3-((2-fluorophenoxy)methyl)-4-methoxybenzylidene)hydrazinecarbothioamide has 2 hydrogen bond donor(s) and 4 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 (E)-N-allyl-2-(3-((2-fluorophenoxy)methyl)-4-methoxybenzylidene)hydrazinecarbothioamide?
The CAS number of (E)-N-allyl-2-(3-((2-fluorophenoxy)methyl)-4-methoxybenzylidene)hydrazinecarbothioamide is 527754-48-9.
What is the molecular formula of (E)-N-allyl-2-(3-((2-fluorophenoxy)methyl)-4-methoxybenzylidene)hydrazinecarbothioamide?
The molecular formula of (E)-N-allyl-2-(3-((2-fluorophenoxy)methyl)-4-methoxybenzylidene)hydrazinecarbothioamide is C19H20FN3O2S.
What is the molecular weight of (E)-N-allyl-2-(3-((2-fluorophenoxy)methyl)-4-methoxybenzylidene)hydrazinecarbothioamide?
The molecular weight of (E)-N-allyl-2-(3-((2-fluorophenoxy)methyl)-4-methoxybenzylidene)hydrazinecarbothioamide is 373.13 g/mol.
Where can I buy (E)-N-allyl-2-(3-((2-fluorophenoxy)methyl)-4-methoxybenzylidene)hydrazinecarbothioamide?
You can request a quote for (E)-N-allyl-2-(3-((2-fluorophenoxy)methyl)-4-methoxybenzylidene)hydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-allyl-2-(3-((2-fluorophenoxy)methyl)-4-methoxybenzylidene)hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-allyl-2-(3-((2-fluorophenoxy)methyl)-4-methoxybenzylidene)hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.