(E)-N-allyl-2-(4-((2-chlorobenzyl)oxy)-3-iodo-5-methoxybenzylidene)hydrazinecarbothioamide
TL;DR: (E)-N-allyl-2-(4-((2-chlorobenzyl)oxy)-3-iodo-5-methoxybenzylidene)hydrazinecarbothioamide (CAS 402728-93-2) is a chemical compound with molecular formula C19H19ClIN3O2S and molecular weight 514.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-[4-[(2-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-3-prop-2-enylthiourea
Also Known As: (E)-N-allyl-2-(4-((2-chlorobenzyl)oxy)-3-iodo-5-methoxybenzylidene)hydrazinecarbothioamide, (2E)-2-{4-[(2-chlorobenzyl)oxy]-3-iodo-5-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide, 1-[(E)-[4-[(2-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-3-prop-2-enylthiourea, 1-[[4-[(2-chlorophenyl)methoxy]-3-iodo-5-methoxy-phenyl]methylideneamino]-3-prop-2-enyl-thiourea
| Molecular Formula | C19H19ClIN3O2S |
|---|---|
| Molecular Weight | 514.99 g/mol |
| LogP | 4.5162 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 514.9931 |
| Heavy Atoms | 27 |
| Complexity | 845.69965 |
Chemical Identifiers
| CAS Number | 402728-93-2 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=N/NC(=S)NCC=C)I)OCC2=CC=CC=C2Cl |
Product Overview
(E)-N-allyl-2-(4-((2-chlorobenzyl)oxy)-3-iodo-5-methoxybenzylidene)hydrazinecarbothioamide (CAS 402728-93-2), with molecular formula C19H19ClIN3O2S and molecular weight 514.99 g/mol. IUPAC: 1-[(E)-[4-[(2-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-3-prop-2-enylthiourea.
Chemical Property Profile of (E)-N-allyl-2-(4-((2-chlorobenzyl)oxy)-3-iodo-5-methoxybenzylidene)hydrazinecarbothioamide
Property Insights of (E)-N-allyl-2-(4-((2-chlorobenzyl)oxy)-3-iodo-5-methoxybenzylidene)hydrazinecarbothioamide
The XLogP value of 4.5162 indicates that (E)-N-allyl-2-(4-((2-chlorobenzyl)oxy)-3-iodo-5-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-(4-((2-chlorobenzyl)oxy)-3-iodo-5-methoxybenzylidene)hydrazinecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-N-allyl-2-(4-((2-chlorobenzyl)oxy)-3-iodo-5-methoxybenzylidene)hydrazinecarbothioamide 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 (E)-N-allyl-2-(4-((2-chlorobenzyl)oxy)-3-iodo-5-methoxybenzylidene)hydrazinecarbothioamide?
The CAS number of (E)-N-allyl-2-(4-((2-chlorobenzyl)oxy)-3-iodo-5-methoxybenzylidene)hydrazinecarbothioamide is 402728-93-2.
What is the molecular formula of (E)-N-allyl-2-(4-((2-chlorobenzyl)oxy)-3-iodo-5-methoxybenzylidene)hydrazinecarbothioamide?
The molecular formula of (E)-N-allyl-2-(4-((2-chlorobenzyl)oxy)-3-iodo-5-methoxybenzylidene)hydrazinecarbothioamide is C19H19ClIN3O2S.
What is the molecular weight of (E)-N-allyl-2-(4-((2-chlorobenzyl)oxy)-3-iodo-5-methoxybenzylidene)hydrazinecarbothioamide?
The molecular weight of (E)-N-allyl-2-(4-((2-chlorobenzyl)oxy)-3-iodo-5-methoxybenzylidene)hydrazinecarbothioamide is 514.99 g/mol.
Where can I buy (E)-N-allyl-2-(4-((2-chlorobenzyl)oxy)-3-iodo-5-methoxybenzylidene)hydrazinecarbothioamide?
You can request a quote for (E)-N-allyl-2-(4-((2-chlorobenzyl)oxy)-3-iodo-5-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-(4-((2-chlorobenzyl)oxy)-3-iodo-5-methoxybenzylidene)hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-allyl-2-(4-((2-chlorobenzyl)oxy)-3-iodo-5-methoxybenzylidene)hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.