TimTec1_005420
TL;DR: TimTec1_005420 (CAS 172984-36-0) is a chemical compound with molecular formula C20H24N2OS and molecular weight 340.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanyl-3-methylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Also Known As: TimTec1_005420, BAS 00335928, Spiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-4(6H)-one, 2-(ethylthio)-3-methyl-, 2-(Ethylthio)-3-methylspiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-4(6H)-one, 2-Ethylthio-3-methyl-4-oxo-1,2,3,4,5,6-hexahydrospiro(benzo(h)quinazoline-5,1'-cyclohexane)
| Molecular Formula | C20H24N2OS |
|---|---|
| Molecular Weight | 340.16 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 58.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.16095 |
| Heavy Atoms | 24 |
| Complexity | 588.0 |
Chemical Identifiers
| CAS Number | 172984-36-0 |
|---|---|
| SMILES | CCSC1=NC2=C(C(=O)N1C)C3(CCCCC3)CC4=CC=CC=C42 |
| InChIKey | XXKDNASNXOXYRQ-UHFFFAOYSA-N |
Product Overview
TimTec1_005420 (CAS 172984-36-0), with molecular formula C20H24N2OS and molecular weight 340.16 g/mol. IUPAC: 2-ethylsulfanyl-3-methylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.
Chemical Property Profile of TimTec1_005420
Property Insights of TimTec1_005420
The XLogP value of 5.0 indicates that TimTec1_005420 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.0 Ų, TimTec1_005420 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TimTec1_005420 has 0 hydrogen bond donor(s) and 3 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 TimTec1_005420?
The CAS number of TimTec1_005420 is 172984-36-0.
What is the molecular formula of TimTec1_005420?
The molecular formula of TimTec1_005420 is C20H24N2OS.
What is the molecular weight of TimTec1_005420?
The molecular weight of TimTec1_005420 is 340.16 g/mol.
Where can I buy TimTec1_005420?
You can request a quote for TimTec1_005420 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_005420?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_005420 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.