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3-Benzyl-1-methyl-1-spiro[5.5]undec-3-ylthiourea
TL;DR: 3-Benzyl-1-methyl-1-spiro[5.5]undec-3-ylthiourea (CAS 350254-29-4) is a chemical compound with molecular formula C20H30N2S and molecular weight 330.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-1-methyl-1-spiro[5.5]undecan-3-ylthiourea
Also Known As: 3-benzyl-1-methyl-1-spiro[5.5]undec-3-ylthiourea, 3-benzyl-1-methyl-1-spiro[5.5]undecan-3-ylthiourea, 3-benzyl-1-methyl-1-spiro[5.5]undecan-9-ylthiourea, 3-benzyl-1-methyl-1-(spiro[5.5]undecan-3-yl)thiourea
| Molecular Formula | C20H30N2S |
|---|---|
| Molecular Weight | 330.21 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 47.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.21298 |
| Heavy Atoms | 23 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 350254-29-4 |
|---|---|
| SMILES | CN(C1CCC2(CCCCC2)CC1)C(=S)NCC3=CC=CC=C3 |
| InChIKey | FBYNGWKLIKMSJJ-UHFFFAOYSA-N |
Product Overview
3-Benzyl-1-methyl-1-spiro[5.5]undec-3-ylthiourea (CAS 350254-29-4), with molecular formula C20H30N2S and molecular weight 330.21 g/mol. IUPAC: 3-benzyl-1-methyl-1-spiro[5.5]undecan-3-ylthiourea.
Chemical Property Profile of 3-Benzyl-1-methyl-1-spiro[5.5]undec-3-ylthiourea
Property Insights of 3-Benzyl-1-methyl-1-spiro[5.5]undec-3-ylthiourea
The XLogP value of 5.5 indicates that 3-Benzyl-1-methyl-1-spiro[5.5]undec-3-ylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.4 Ų, 3-Benzyl-1-methyl-1-spiro[5.5]undec-3-ylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl-1-methyl-1-spiro[5.5]undec-3-ylthiourea has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Benzyl-1-methyl-1-spiro[5.5]undec-3-ylthiourea?
The CAS number of 3-Benzyl-1-methyl-1-spiro[5.5]undec-3-ylthiourea is 350254-29-4.
What is the molecular formula of 3-Benzyl-1-methyl-1-spiro[5.5]undec-3-ylthiourea?
The molecular formula of 3-Benzyl-1-methyl-1-spiro[5.5]undec-3-ylthiourea is C20H30N2S.
What is the molecular weight of 3-Benzyl-1-methyl-1-spiro[5.5]undec-3-ylthiourea?
The molecular weight of 3-Benzyl-1-methyl-1-spiro[5.5]undec-3-ylthiourea is 330.21 g/mol.
Where can I buy 3-Benzyl-1-methyl-1-spiro[5.5]undec-3-ylthiourea?
You can request a quote for 3-Benzyl-1-methyl-1-spiro[5.5]undec-3-ylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyl-1-methyl-1-spiro[5.5]undec-3-ylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-1-methyl-1-spiro[5.5]undec-3-ylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.