![1-[(E)-(3-tert-butyl-4-methoxyphenyl)methylideneamino]-3-octadecylthiourea structure](/static/products/695/6951-62-8.png)
1-[(E)-(3-tert-butyl-4-methoxyphenyl)methylideneamino]-3-octadecylthiourea
TL;DR: 1-[(E)-(3-tert-butyl-4-methoxyphenyl)methylideneamino]-3-octadecylthiourea (CAS 6951-62-8) is a chemical compound with molecular formula C31H55N3OS and molecular weight 517.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-(3-tert-butyl-4-methoxyphenyl)methylideneamino]-3-octadecylthiourea
Also Known As: 1-[(E)-(3-tert-butyl-4-methoxyphenyl)methylideneamino]-3-octadecylthiourea, (2E)-2-[(3-tert-Butyl-4-methoxyphenyl)methylidene]-N-octadecylhydrazine-1-carbothioamide
| Molecular Formula | C31H55N3OS |
|---|---|
| Molecular Weight | 517.41 g/mol |
| LogP | 9.0522 |
| Topological Polar Surface Area | 45.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 20 |
| Exact Mass | 517.40656 |
| Heavy Atoms | 36 |
| Complexity | 727.0211 |
Chemical Identifiers
| CAS Number | 6951-62-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCNC(=S)N/N=C/C1=CC(=C(C=C1)OC)C(C)(C)C |
Product Overview
1-[(E)-(3-tert-butyl-4-methoxyphenyl)methylideneamino]-3-octadecylthiourea (CAS 6951-62-8), with molecular formula C31H55N3OS and molecular weight 517.41 g/mol. IUPAC: 1-[(E)-(3-tert-butyl-4-methoxyphenyl)methylideneamino]-3-octadecylthiourea.
Chemical Property Profile of 1-[(E)-(3-tert-butyl-4-methoxyphenyl)methylideneamino]-3-octadecylthiourea
Property Insights of 1-[(E)-(3-tert-butyl-4-methoxyphenyl)methylideneamino]-3-octadecylthiourea
The XLogP value of 9.0522 indicates that 1-[(E)-(3-tert-butyl-4-methoxyphenyl)methylideneamino]-3-octadecylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.65 Ų, 1-[(E)-(3-tert-butyl-4-methoxyphenyl)methylideneamino]-3-octadecylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(E)-(3-tert-butyl-4-methoxyphenyl)methylideneamino]-3-octadecylthiourea has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[(E)-(3-tert-butyl-4-methoxyphenyl)methylideneamino]-3-octadecylthiourea?
The CAS number of 1-[(E)-(3-tert-butyl-4-methoxyphenyl)methylideneamino]-3-octadecylthiourea is 6951-62-8.
What is the molecular formula of 1-[(E)-(3-tert-butyl-4-methoxyphenyl)methylideneamino]-3-octadecylthiourea?
The molecular formula of 1-[(E)-(3-tert-butyl-4-methoxyphenyl)methylideneamino]-3-octadecylthiourea is C31H55N3OS.
What is the molecular weight of 1-[(E)-(3-tert-butyl-4-methoxyphenyl)methylideneamino]-3-octadecylthiourea?
The molecular weight of 1-[(E)-(3-tert-butyl-4-methoxyphenyl)methylideneamino]-3-octadecylthiourea is 517.41 g/mol.
Where can I buy 1-[(E)-(3-tert-butyl-4-methoxyphenyl)methylideneamino]-3-octadecylthiourea?
You can request a quote for 1-[(E)-(3-tert-butyl-4-methoxyphenyl)methylideneamino]-3-octadecylthiourea 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-tert-butyl-4-methoxyphenyl)methylideneamino]-3-octadecylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[(E)-(3-tert-butyl-4-methoxyphenyl)methylideneamino]-3-octadecylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.