N1-(4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-N2-isopentyloxalamide
TL;DR: N1-(4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-N2-isopentyloxalamide (CAS 1105229-89-7) is a chemical compound with molecular formula C16H22ClN3O4S and molecular weight 387.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(3-methylbutyl)oxamide
Also Known As: VU0497032-1, F2761-0346, N'-[4-chloro-3-(1,1-dioxo-1lambda6,2-thiazolidin-2-yl)phenyl]-N-(3-methylbutyl)ethanediamide, N1-(4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-N2-isopentyloxalamide, N'-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(3-methylbutyl)oxamide
| Molecular Formula | C16H22ClN3O4S |
|---|---|
| Molecular Weight | 387.10 g/mol |
| LogP | 1.9807 |
| Topological Polar Surface Area | 95.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.10196 |
| Heavy Atoms | 25 |
| Complexity | 764.6434 |
Chemical Identifiers
| CAS Number | 1105229-89-7 |
|---|---|
| SMILES | CC(C)CCNC(=O)C(=O)NC1=CC(=C(C=C1)Cl)N2CCCS2(=O)=O |
Product Overview
N1-(4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-N2-isopentyloxalamide (CAS 1105229-89-7), with molecular formula C16H22ClN3O4S and molecular weight 387.10 g/mol. IUPAC: N'-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(3-methylbutyl)oxamide.
Chemical Property Profile of N1-(4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-N2-isopentyloxalamide
Property Insights of N1-(4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-N2-isopentyloxalamide
The XLogP value of 1.9807 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N1-(4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-N2-isopentyloxalamide. The TPSA of 95.58 Ų falls within the moderate polarity range, balancing permeability and solubility for N1-(4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-N2-isopentyloxalamide. Following Lipinski's Rule of Five, N1-(4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-N2-isopentyloxalamide has 2 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 N1-(4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-N2-isopentyloxalamide?
The CAS number of N1-(4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-N2-isopentyloxalamide is 1105229-89-7.
What is the molecular formula of N1-(4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-N2-isopentyloxalamide?
The molecular formula of N1-(4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-N2-isopentyloxalamide is C16H22ClN3O4S.
What is the molecular weight of N1-(4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-N2-isopentyloxalamide?
The molecular weight of N1-(4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-N2-isopentyloxalamide is 387.10 g/mol.
Where can I buy N1-(4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-N2-isopentyloxalamide?
You can request a quote for N1-(4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-N2-isopentyloxalamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N1-(4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-N2-isopentyloxalamide?
Yes, KEHONG BIO provides custom synthesis services for N1-(4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-N2-isopentyloxalamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.