ChemDiv3_008230
TL;DR: ChemDiv3_008230 (CAS 892290-03-8) is a chemical compound with molecular formula C19H25N3O2S and molecular weight 359.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 3-(4-methylphenyl)-2-sulfanylidene-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxylate
Also Known As: ChemDiv3_008230, tert-butyl 2-(4-methylphenyl)-3-sulfanylidene-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate, IDI1_026140, BRD-K40523233-001-01-5, tert-butyl 2-(4-methylphenyl)-3-thioxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
| Molecular Formula | C19H25N3O2S |
|---|---|
| Molecular Weight | 359.17 g/mol |
| LogP | 3.44192 |
| Topological Polar Surface Area | 53.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 359.16675 |
| Heavy Atoms | 25 |
| Complexity | 711.17993 |
Chemical Identifiers
| CAS Number | 892290-03-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC3(CCN(CC3)C(=O)OC(C)(C)C)NC2=S |
Product Overview
ChemDiv3_008230 (CAS 892290-03-8), with molecular formula C19H25N3O2S and molecular weight 359.17 g/mol. IUPAC: tert-butyl 3-(4-methylphenyl)-2-sulfanylidene-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxylate.
Chemical Property Profile of ChemDiv3_008230
Property Insights of ChemDiv3_008230
The XLogP value of 3.44192 indicates that ChemDiv3_008230 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.93 Ų, ChemDiv3_008230 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_008230 has 1 hydrogen bond donor(s) and 4 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 ChemDiv3_008230?
The CAS number of ChemDiv3_008230 is 892290-03-8.
What is the molecular formula of ChemDiv3_008230?
The molecular formula of ChemDiv3_008230 is C19H25N3O2S.
What is the molecular weight of ChemDiv3_008230?
The molecular weight of ChemDiv3_008230 is 359.17 g/mol.
Where can I buy ChemDiv3_008230?
You can request a quote for ChemDiv3_008230 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_008230?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_008230 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.