![3-(4-Methylphenyl)-4-thia-1,2-diazaspiro[4.11]hexadec-2-ene structure](/static/products/3092/309271-39-4.webp)
3-(4-Methylphenyl)-4-thia-1,2-diazaspiro[4.11]hexadec-2-ene
TL;DR: 3-(4-Methylphenyl)-4-thia-1,2-diazaspiro[4.11]hexadec-2-ene (CAS 309271-39-4) 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.
2-(4-methylphenyl)-1-thia-3,4-diazaspiro[4.11]hexadec-2-ene
Also Known As: 3-(4-methylphenyl)-4-thia-1,2-diazaspiro[4.11]hexadec-2-ene, BAS 13119850, 3-p-Tolyl-4-thia-1,2-diaza-spiro[4.11]hexadec-2-ene, A2069/0087055, 2-(4-methylphenyl)-1-thia-3,4-diazaspiro[4.11]hexadec-2-ene
| Molecular Formula | C20H30N2S |
|---|---|
| Molecular Weight | 330.21 g/mol |
| LogP | 5.99402 |
| Topological Polar Surface Area | 24.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 330.21298 |
| Heavy Atoms | 23 |
| Complexity | 508.94815 |
Chemical Identifiers
| CAS Number | 309271-39-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NNC3(S2)CCCCCCCCCCC3 |
Product Overview
3-(4-Methylphenyl)-4-thia-1,2-diazaspiro[4.11]hexadec-2-ene (CAS 309271-39-4), with molecular formula C20H30N2S and molecular weight 330.21 g/mol. IUPAC: 2-(4-methylphenyl)-1-thia-3,4-diazaspiro[4.11]hexadec-2-ene.
Chemical Property Profile of 3-(4-Methylphenyl)-4-thia-1,2-diazaspiro[4.11]hexadec-2-ene
Property Insights of 3-(4-Methylphenyl)-4-thia-1,2-diazaspiro[4.11]hexadec-2-ene
The XLogP value of 5.99402 indicates that 3-(4-Methylphenyl)-4-thia-1,2-diazaspiro[4.11]hexadec-2-ene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.39 Ų, 3-(4-Methylphenyl)-4-thia-1,2-diazaspiro[4.11]hexadec-2-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methylphenyl)-4-thia-1,2-diazaspiro[4.11]hexadec-2-ene has 1 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 3-(4-Methylphenyl)-4-thia-1,2-diazaspiro[4.11]hexadec-2-ene?
The CAS number of 3-(4-Methylphenyl)-4-thia-1,2-diazaspiro[4.11]hexadec-2-ene is 309271-39-4.
What is the molecular formula of 3-(4-Methylphenyl)-4-thia-1,2-diazaspiro[4.11]hexadec-2-ene?
The molecular formula of 3-(4-Methylphenyl)-4-thia-1,2-diazaspiro[4.11]hexadec-2-ene is C20H30N2S.
What is the molecular weight of 3-(4-Methylphenyl)-4-thia-1,2-diazaspiro[4.11]hexadec-2-ene?
The molecular weight of 3-(4-Methylphenyl)-4-thia-1,2-diazaspiro[4.11]hexadec-2-ene is 330.21 g/mol.
Where can I buy 3-(4-Methylphenyl)-4-thia-1,2-diazaspiro[4.11]hexadec-2-ene?
You can request a quote for 3-(4-Methylphenyl)-4-thia-1,2-diazaspiro[4.11]hexadec-2-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methylphenyl)-4-thia-1,2-diazaspiro[4.11]hexadec-2-ene?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methylphenyl)-4-thia-1,2-diazaspiro[4.11]hexadec-2-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.