N-cycloheptyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
TL;DR: N-cycloheptyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide (CAS 899757-16-5) is a chemical compound with molecular formula C17H22N2O4S and molecular weight 350.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cycloheptyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
Also Known As: F2749-0091, N-cycloheptyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide, N-cycloheptyl-3-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)propanamide, N-cycloheptyl-3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)propanamide
| Molecular Formula | C17H22N2O4S |
|---|---|
| Molecular Weight | 350.13 g/mol |
| LogP | 2.0602 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.13004 |
| Heavy Atoms | 24 |
| Complexity | 736.71234 |
Chemical Identifiers
| CAS Number | 899757-16-5 |
|---|---|
| SMILES | C1CCCC(CC1)NC(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O |
Product Overview
N-cycloheptyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide (CAS 899757-16-5), with molecular formula C17H22N2O4S and molecular weight 350.13 g/mol. IUPAC: N-cycloheptyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide.
Chemical Property Profile of N-cycloheptyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
Property Insights of N-cycloheptyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
The XLogP value of 2.0602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-cycloheptyl-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-cycloheptyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide. Following Lipinski's Rule of Five, N-cycloheptyl-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-cycloheptyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The CAS number of N-cycloheptyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide is 899757-16-5.
What is the molecular formula of N-cycloheptyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The molecular formula of N-cycloheptyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide is C17H22N2O4S.
What is the molecular weight of N-cycloheptyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The molecular weight of N-cycloheptyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide is 350.13 g/mol.
Where can I buy N-cycloheptyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
You can request a quote for N-cycloheptyl-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-cycloheptyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-cycloheptyl-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.