![(2E)-2-{3-[(4-bromophenoxy)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide structure](/static/products/529/529499-40-9.png)
(2E)-2-{3-[(4-bromophenoxy)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide
TL;DR: (2E)-2-{3-[(4-bromophenoxy)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide (CAS 529499-40-9) is a chemical compound with molecular formula C22H20BrN3O2S and molecular weight 469.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3-phenylthiourea
Also Known As: (2E)-2-{3-[(4-bromophenoxy)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide, (E)-2-(3-((4-bromophenoxy)methyl)-4-methoxybenzylidene)-N-phenylhydrazinecarbothioamide, 1-[(E)-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3-phenylthiourea, 3-[[3-[(4-bromophenoxy)methyl]-4-methoxy-phenyl]methylideneamino]-1-phenyl-thiourea
| Molecular Formula | C22H20BrN3O2S |
|---|---|
| Molecular Weight | 469.05 g/mol |
| LogP | 5.3572 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 469.04596 |
| Heavy Atoms | 29 |
| Complexity | 979.10736 |
Chemical Identifiers
| CAS Number | 529499-40-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=N/NC(=S)NC2=CC=CC=C2)COC3=CC=C(C=C3)Br |
Product Overview
(2E)-2-{3-[(4-bromophenoxy)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide (CAS 529499-40-9), with molecular formula C22H20BrN3O2S and molecular weight 469.05 g/mol. IUPAC: 1-[(E)-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3-phenylthiourea.
Chemical Property Profile of (2E)-2-{3-[(4-bromophenoxy)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide
Property Insights of (2E)-2-{3-[(4-bromophenoxy)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide
The XLogP value of 5.3572 indicates that (2E)-2-{3-[(4-bromophenoxy)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, (2E)-2-{3-[(4-bromophenoxy)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-2-{3-[(4-bromophenoxy)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide 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 (2E)-2-{3-[(4-bromophenoxy)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide?
The CAS number of (2E)-2-{3-[(4-bromophenoxy)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide is 529499-40-9.
What is the molecular formula of (2E)-2-{3-[(4-bromophenoxy)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide?
The molecular formula of (2E)-2-{3-[(4-bromophenoxy)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide is C22H20BrN3O2S.
What is the molecular weight of (2E)-2-{3-[(4-bromophenoxy)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide?
The molecular weight of (2E)-2-{3-[(4-bromophenoxy)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide is 469.05 g/mol.
Where can I buy (2E)-2-{3-[(4-bromophenoxy)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide?
You can request a quote for (2E)-2-{3-[(4-bromophenoxy)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-{3-[(4-bromophenoxy)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-{3-[(4-bromophenoxy)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.