![(2E)-2-(3-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}-4-methoxybenzylidene)-N-phenylhydrazinecarbothioamide structure](/static/products/529/529499-13-6.png)
(2E)-2-(3-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}-4-methoxybenzylidene)-N-phenylhydrazinecarbothioamide
TL;DR: (2E)-2-(3-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}-4-methoxybenzylidene)-N-phenylhydrazinecarbothioamide (CAS 529499-13-6) is a chemical compound with molecular formula C26H28ClN3O2S and molecular weight 481.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-[3-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3-phenylthiourea
Also Known As: (2E)-2-(3-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}-4-methoxybenzylidene)-N-phenylhydrazinecarbothioamide, (E)-2-(3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxybenzylidene)-N-phenylhydrazinecarbothioamide, {[(1E)-2-(3-{[4-chloro-5-methyl-2-(methylethyl)phenoxy]methyl}-4-methoxyphenyl )-1-azavinyl]amino}(phenylamino)methane-1-thione, 1-[(E)-[3-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3-phenylthiourea
| Molecular Formula | C26H28ClN3O2S |
|---|---|
| Molecular Weight | 481.16 g/mol |
| LogP | 6.67992 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 481.1591 |
| Heavy Atoms | 33 |
| Complexity | 1133.881 |
Chemical Identifiers
| CAS Number | 529499-13-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Cl)C(C)C)OCC2=C(C=CC(=C2)/C=N/NC(=S)NC3=CC=CC=C3)OC |
Product Overview
(2E)-2-(3-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}-4-methoxybenzylidene)-N-phenylhydrazinecarbothioamide (CAS 529499-13-6), with molecular formula C26H28ClN3O2S and molecular weight 481.16 g/mol. IUPAC: 1-[(E)-[3-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3-phenylthiourea.
Chemical Property Profile of (2E)-2-(3-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}-4-methoxybenzylidene)-N-phenylhydrazinecarbothioamide
Property Insights of (2E)-2-(3-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}-4-methoxybenzylidene)-N-phenylhydrazinecarbothioamide
The XLogP value of 6.67992 indicates that (2E)-2-(3-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]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-chloro-5-methyl-2-(propan-2-yl)phenoxy]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-chloro-5-methyl-2-(propan-2-yl)phenoxy]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-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}-4-methoxybenzylidene)-N-phenylhydrazinecarbothioamide?
The CAS number of (2E)-2-(3-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}-4-methoxybenzylidene)-N-phenylhydrazinecarbothioamide is 529499-13-6.
What is the molecular formula of (2E)-2-(3-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}-4-methoxybenzylidene)-N-phenylhydrazinecarbothioamide?
The molecular formula of (2E)-2-(3-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}-4-methoxybenzylidene)-N-phenylhydrazinecarbothioamide is C26H28ClN3O2S.
What is the molecular weight of (2E)-2-(3-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}-4-methoxybenzylidene)-N-phenylhydrazinecarbothioamide?
The molecular weight of (2E)-2-(3-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}-4-methoxybenzylidene)-N-phenylhydrazinecarbothioamide is 481.16 g/mol.
Where can I buy (2E)-2-(3-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}-4-methoxybenzylidene)-N-phenylhydrazinecarbothioamide?
You can request a quote for (2E)-2-(3-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]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-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}-4-methoxybenzylidene)-N-phenylhydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-(3-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}-4-methoxybenzylidene)-N-phenylhydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.