![N-(4-chlorobenzyl)-1-({5-[(E)-2-(dimethylamino)vinyl]-3-methylisoxazol-4-yl}sulfonyl)piperidine-3-carboxamide structure](/static/products/116/1164538-90-2.png)
N-(4-chlorobenzyl)-1-({5-[(E)-2-(dimethylamino)vinyl]-3-methylisoxazol-4-yl}sulfonyl)piperidine-3-carboxamide
TL;DR: N-(4-chlorobenzyl)-1-({5-[(E)-2-(dimethylamino)vinyl]-3-methylisoxazol-4-yl}sulfonyl)piperidine-3-carboxamide (CAS 1164538-90-2) is a chemical compound with molecular formula C21H27ClN4O4S and molecular weight 466.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chlorophenyl)methyl]-1-[[5-[(E)-2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide
Also Known As: N-(4-chlorobenzyl)-1-({5-[(E)-2-(dimethylamino)vinyl]-3-methylisoxazol-4-yl}sulfonyl)piperidine-3-carboxamide, N-[(4-CHLOROPHENYL)METHYL]-1-({5-[(1E)-2-(DIMETHYLAMINO)ETHENYL]-3-METHYL-1,2-OXAZOL-4-YL}SULFONYL)PIPERIDINE-3-CARBOXAMIDE, N-[(4-Chlorophenyl)methyl]-1-[[5-[(1E)-2-(dimethylamino)ethenyl]-3-methyl-4-isoxazolyl]sulfonyl]-3-piperidinecarboxamide, N-[(4-chlorophenyl)methyl]-1-[[5-[(E)-2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide
| Molecular Formula | C21H27ClN4O4S |
|---|---|
| Molecular Weight | 466.14 g/mol |
| LogP | 2.88582 |
| Topological Polar Surface Area | 95.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 466.14417 |
| Heavy Atoms | 31 |
| Complexity | 1047.832 |
Chemical Identifiers
| CAS Number | 1164538-90-2 |
|---|---|
| SMILES | CC1=NOC(=C1S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=C(C=C3)Cl)/C=C/N(C)C |
Product Overview
N-(4-chlorobenzyl)-1-({5-[(E)-2-(dimethylamino)vinyl]-3-methylisoxazol-4-yl}sulfonyl)piperidine-3-carboxamide (CAS 1164538-90-2), with molecular formula C21H27ClN4O4S and molecular weight 466.14 g/mol. IUPAC: N-[(4-chlorophenyl)methyl]-1-[[5-[(E)-2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide.
Chemical Property Profile of N-(4-chlorobenzyl)-1-({5-[(E)-2-(dimethylamino)vinyl]-3-methylisoxazol-4-yl}sulfonyl)piperidine-3-carboxamide
Property Insights of N-(4-chlorobenzyl)-1-({5-[(E)-2-(dimethylamino)vinyl]-3-methylisoxazol-4-yl}sulfonyl)piperidine-3-carboxamide
The XLogP value of 2.88582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-chlorobenzyl)-1-({5-[(E)-2-(dimethylamino)vinyl]-3-methylisoxazol-4-yl}sulfonyl)piperidine-3-carboxamide. The TPSA of 95.75 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-chlorobenzyl)-1-({5-[(E)-2-(dimethylamino)vinyl]-3-methylisoxazol-4-yl}sulfonyl)piperidine-3-carboxamide. Following Lipinski's Rule of Five, N-(4-chlorobenzyl)-1-({5-[(E)-2-(dimethylamino)vinyl]-3-methylisoxazol-4-yl}sulfonyl)piperidine-3-carboxamide 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 N-(4-chlorobenzyl)-1-({5-[(E)-2-(dimethylamino)vinyl]-3-methylisoxazol-4-yl}sulfonyl)piperidine-3-carboxamide?
The CAS number of N-(4-chlorobenzyl)-1-({5-[(E)-2-(dimethylamino)vinyl]-3-methylisoxazol-4-yl}sulfonyl)piperidine-3-carboxamide is 1164538-90-2.
What is the molecular formula of N-(4-chlorobenzyl)-1-({5-[(E)-2-(dimethylamino)vinyl]-3-methylisoxazol-4-yl}sulfonyl)piperidine-3-carboxamide?
The molecular formula of N-(4-chlorobenzyl)-1-({5-[(E)-2-(dimethylamino)vinyl]-3-methylisoxazol-4-yl}sulfonyl)piperidine-3-carboxamide is C21H27ClN4O4S.
What is the molecular weight of N-(4-chlorobenzyl)-1-({5-[(E)-2-(dimethylamino)vinyl]-3-methylisoxazol-4-yl}sulfonyl)piperidine-3-carboxamide?
The molecular weight of N-(4-chlorobenzyl)-1-({5-[(E)-2-(dimethylamino)vinyl]-3-methylisoxazol-4-yl}sulfonyl)piperidine-3-carboxamide is 466.14 g/mol.
Where can I buy N-(4-chlorobenzyl)-1-({5-[(E)-2-(dimethylamino)vinyl]-3-methylisoxazol-4-yl}sulfonyl)piperidine-3-carboxamide?
You can request a quote for N-(4-chlorobenzyl)-1-({5-[(E)-2-(dimethylamino)vinyl]-3-methylisoxazol-4-yl}sulfonyl)piperidine-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-chlorobenzyl)-1-({5-[(E)-2-(dimethylamino)vinyl]-3-methylisoxazol-4-yl}sulfonyl)piperidine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chlorobenzyl)-1-({5-[(E)-2-(dimethylamino)vinyl]-3-methylisoxazol-4-yl}sulfonyl)piperidine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.