(benzyl-tert-butyl-carbamoyl)methyl 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate
TL;DR: (benzyl-tert-butyl-carbamoyl)methyl 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate (CAS 5735-32-0) is a chemical compound with molecular formula C27H25ClN2O3S and molecular weight 492.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate
Also Known As: (benzyl-tert-butyl-carbamoyl)methyl 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate, [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate, 2-[Benzyl(tert-butyl)amino]-2-oxoethyl 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate
| Molecular Formula | C27H25ClN2O3S |
|---|---|
| Molecular Weight | 492.13 g/mol |
| LogP | 6.6008 |
| Topological Polar Surface Area | 59.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 492.12744 |
| Heavy Atoms | 34 |
| Complexity | 1328.7202 |
Chemical Identifiers
| CAS Number | 5735-32-0 |
|---|---|
| SMILES | CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl |
Product Overview
(benzyl-tert-butyl-carbamoyl)methyl 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate (CAS 5735-32-0), with molecular formula C27H25ClN2O3S and molecular weight 492.13 g/mol. IUPAC: [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate.
Chemical Property Profile of (benzyl-tert-butyl-carbamoyl)methyl 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate
Property Insights of (benzyl-tert-butyl-carbamoyl)methyl 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate
The XLogP value of 6.6008 indicates that (benzyl-tert-butyl-carbamoyl)methyl 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.5 Ų, (benzyl-tert-butyl-carbamoyl)methyl 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (benzyl-tert-butyl-carbamoyl)methyl 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (benzyl-tert-butyl-carbamoyl)methyl 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate?
The CAS number of (benzyl-tert-butyl-carbamoyl)methyl 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate is 5735-32-0.
What is the molecular formula of (benzyl-tert-butyl-carbamoyl)methyl 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate?
The molecular formula of (benzyl-tert-butyl-carbamoyl)methyl 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate is C27H25ClN2O3S.
What is the molecular weight of (benzyl-tert-butyl-carbamoyl)methyl 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate?
The molecular weight of (benzyl-tert-butyl-carbamoyl)methyl 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate is 492.13 g/mol.
Where can I buy (benzyl-tert-butyl-carbamoyl)methyl 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate?
You can request a quote for (benzyl-tert-butyl-carbamoyl)methyl 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (benzyl-tert-butyl-carbamoyl)methyl 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (benzyl-tert-butyl-carbamoyl)methyl 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.