![1-[(E)-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-3-phenylthiourea structure](/static/products/529/529482-35-7.png)
1-[(E)-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-3-phenylthiourea
TL;DR: 1-[(E)-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-3-phenylthiourea (CAS 529482-35-7) is a chemical compound with molecular formula C22H20N6OS and molecular weight 416.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-3-phenylthiourea
Also Known As: 1-[(E)-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-3-phenylthiourea, ({(1E)-2-[3-(benzotriazolylmethyl)-4-methoxyphenyl]-1-azavinyl}amino)(phenylam ino)methane-1-thione, (2E)-2-[3-(1H-benzotriazol-1-ylmethyl)-4-methoxybenzylidene]-N-phenylhydrazinecarbothioamide, (E)-2-(3-((1H-benzo[d][1,2,3]triazol-1-yl)methyl)-4-methoxybenzylidene)-N-phenylhydrazinecarbothioamide, 2-{(E)-1-[3-(1H-1,2,3-BENZOTRIAZOL-1-YLMETHYL)-4-METHOXYPHENYL]METHYLIDENE}-N-PHENYL-1-HYDRAZINECARBOTHIOAMIDE
| Molecular Formula | C22H20N6OS |
|---|---|
| Molecular Weight | 416.14 g/mol |
| LogP | 3.8087 |
| Topological Polar Surface Area | 76.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.14194 |
| Heavy Atoms | 30 |
| Complexity | 1188.6946 |
Chemical Identifiers
| CAS Number | 529482-35-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=N/NC(=S)NC2=CC=CC=C2)CN3C4=CC=CC=C4N=N3 |
Product Overview
1-[(E)-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-3-phenylthiourea (CAS 529482-35-7), with molecular formula C22H20N6OS and molecular weight 416.14 g/mol. IUPAC: 1-[(E)-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-3-phenylthiourea.
Chemical Property Profile of 1-[(E)-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-3-phenylthiourea
Property Insights of 1-[(E)-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-3-phenylthiourea
The XLogP value of 3.8087 indicates that 1-[(E)-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-3-phenylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(E)-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-3-phenylthiourea. Following Lipinski's Rule of Five, 1-[(E)-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-3-phenylthiourea has 2 hydrogen bond donor(s) and 5 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 1-[(E)-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-3-phenylthiourea?
The CAS number of 1-[(E)-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-3-phenylthiourea is 529482-35-7.
What is the molecular formula of 1-[(E)-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-3-phenylthiourea?
The molecular formula of 1-[(E)-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-3-phenylthiourea is C22H20N6OS.
What is the molecular weight of 1-[(E)-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-3-phenylthiourea?
The molecular weight of 1-[(E)-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-3-phenylthiourea is 416.14 g/mol.
Where can I buy 1-[(E)-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-3-phenylthiourea?
You can request a quote for 1-[(E)-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-3-phenylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(E)-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-3-phenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[(E)-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-3-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.