S3QEL-1
TL;DR: S3QEL-1 (CAS 689227-40-5) is a chemical compound with molecular formula C27H31N3O4S and molecular weight 493.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-[[4-(benzylcarbamoyl)cyclohexyl]methyl]-4-oxoquinazolin-2-yl]sulfanylacetate
Also Known As: S3QEL-1, J3.477.275D, ethyl 2-[(3-{[4-(benzylcarbamoyl)cyclohexyl]methyl}-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate, ethyl 2-[3-[[4-(benzylcarbamoyl)cyclohexyl]methyl]-4-oxoquinazolin-2-yl]sulfanylacetate, [[3-[[4-(Benzylcarbamoyl)cyclohexyl]methyl]-4-oxo-3,4-dihydroquinazoline-2-yl]thio]acetic acid ethyl ester
| Molecular Formula | C27H31N3O4S |
|---|---|
| Molecular Weight | 493.20 g/mol |
| LogP | 4.1745 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 493.20352 |
| Heavy Atoms | 35 |
| Complexity | 1220.0735 |
Chemical Identifiers
| CAS Number | 689227-40-5 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3CCC(CC3)C(=O)NCC4=CC=CC=C4 |
Product Overview
S3QEL-1 (CAS 689227-40-5), with molecular formula C27H31N3O4S and molecular weight 493.20 g/mol. IUPAC: ethyl 2-[3-[[4-(benzylcarbamoyl)cyclohexyl]methyl]-4-oxoquinazolin-2-yl]sulfanylacetate.
Chemical Property Profile of S3QEL-1
Property Insights of S3QEL-1
The XLogP value of 4.1745 indicates that S3QEL-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for S3QEL-1. Following Lipinski's Rule of Five, S3QEL-1 has 1 hydrogen bond donor(s) and 6 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 S3QEL-1?
The CAS number of S3QEL-1 is 689227-40-5.
What is the molecular formula of S3QEL-1?
The molecular formula of S3QEL-1 is C27H31N3O4S.
What is the molecular weight of S3QEL-1?
The molecular weight of S3QEL-1 is 493.20 g/mol.
Where can I buy S3QEL-1?
You can request a quote for S3QEL-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S3QEL-1?
Yes, KEHONG BIO provides custom synthesis services for S3QEL-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.