1-(1,3-benzodioxol-5-ylmethylideneamino)-3-octadecylthiourea
TL;DR: 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-octadecylthiourea (CAS 6299-33-8) is a chemical compound with molecular formula C27H45N3O2S and molecular weight 475.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-ylmethylideneamino)-3-octadecylthiourea
Also Known As: 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-octadecylthiourea, Hydrazinecarbothioamide,2-(1,3-benzodioxol-5-ylmethylene)-N-octadecyl-, 2-[(2H-1,3-Benzodioxol-5-yl)methylidene]-N-octadecylhydrazine-1-carboximidothioic acid
| Molecular Formula | C27H45N3O2S |
|---|---|
| Molecular Weight | 475.32 g/mol |
| LogP | 7.4748 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 19 |
| Exact Mass | 475.32324 |
| Heavy Atoms | 33 |
| Complexity | 681.3304 |
Chemical Identifiers
| CAS Number | 6299-33-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCNC(=S)NN=CC1=CC2=C(C=C1)OCO2 |
Product Overview
1-(1,3-benzodioxol-5-ylmethylideneamino)-3-octadecylthiourea (CAS 6299-33-8), with molecular formula C27H45N3O2S and molecular weight 475.32 g/mol. IUPAC: 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-octadecylthiourea.
Chemical Property Profile of 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-octadecylthiourea
Property Insights of 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-octadecylthiourea
The XLogP value of 7.4748 indicates that 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-octadecylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-octadecylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-octadecylthiourea 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 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-octadecylthiourea?
The CAS number of 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-octadecylthiourea is 6299-33-8.
What is the molecular formula of 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-octadecylthiourea?
The molecular formula of 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-octadecylthiourea is C27H45N3O2S.
What is the molecular weight of 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-octadecylthiourea?
The molecular weight of 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-octadecylthiourea is 475.32 g/mol.
Where can I buy 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-octadecylthiourea?
You can request a quote for 1-(1,3-benzodioxol-5-ylmethylideneamino)-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-(1,3-benzodioxol-5-ylmethylideneamino)-3-octadecylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-octadecylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.