![N-[2-(cyclohexen-1-yl)ethyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide structure](/static/products/899/899954-48-4.png)
N-[2-(cyclohexen-1-yl)ethyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
TL;DR: N-[2-(cyclohexen-1-yl)ethyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide (CAS 899954-48-4) is a chemical compound with molecular formula C18H22N2O4S and molecular weight 362.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(cyclohexen-1-yl)ethyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
Also Known As: VU0495789-1, F2749-0089, N-[2-(cyclohex-1-en-1-yl)ethyl]-3-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)propanamide, N-[2-(cyclohexen-1-yl)ethyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide, N-(2-(cyclohex-1-en-1-yl)ethyl)-3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)propanamide
| Molecular Formula | C18H22N2O4S |
|---|---|
| Molecular Weight | 362.13 g/mol |
| LogP | 2.2279 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 362.13004 |
| Heavy Atoms | 25 |
| Complexity | 814.1199 |
Chemical Identifiers
| CAS Number | 899954-48-4 |
|---|---|
| SMILES | C1CCC(=CC1)CCNC(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O |
Product Overview
N-[2-(cyclohexen-1-yl)ethyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide (CAS 899954-48-4), with molecular formula C18H22N2O4S and molecular weight 362.13 g/mol. IUPAC: N-[2-(cyclohexen-1-yl)ethyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide.
Chemical Property Profile of N-[2-(cyclohexen-1-yl)ethyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
Property Insights of N-[2-(cyclohexen-1-yl)ethyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
The XLogP value of 2.2279 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[2-(cyclohexen-1-yl)ethyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide. The TPSA of 83.55 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(cyclohexen-1-yl)ethyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide. Following Lipinski's Rule of Five, N-[2-(cyclohexen-1-yl)ethyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide has 1 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 N-[2-(cyclohexen-1-yl)ethyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The CAS number of N-[2-(cyclohexen-1-yl)ethyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide is 899954-48-4.
What is the molecular formula of N-[2-(cyclohexen-1-yl)ethyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The molecular formula of N-[2-(cyclohexen-1-yl)ethyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide is C18H22N2O4S.
What is the molecular weight of N-[2-(cyclohexen-1-yl)ethyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The molecular weight of N-[2-(cyclohexen-1-yl)ethyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide is 362.13 g/mol.
Where can I buy N-[2-(cyclohexen-1-yl)ethyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
You can request a quote for N-[2-(cyclohexen-1-yl)ethyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(cyclohexen-1-yl)ethyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(cyclohexen-1-yl)ethyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.