2-Heptyl-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione
TL;DR: 2-Heptyl-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione (CAS 7499-98-1) is a chemical compound with molecular formula C14H19NO3S and molecular weight 281.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-heptyl-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: 2-heptyl-1,1-dioxo-1,2-benzothiazol-3-one, 2-Heptyl-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione
| Molecular Formula | C14H19NO3S |
|---|---|
| Molecular Weight | 281.11 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 281.10855 |
| Heavy Atoms | 19 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 7499-98-1 |
|---|---|
| SMILES | CCCCCCCN1C(=O)C2=CC=CC=C2S1(=O)=O |
| InChIKey | FYNVDOWAKPQORI-UHFFFAOYSA-N |
Product Overview
2-Heptyl-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione (CAS 7499-98-1), with molecular formula C14H19NO3S and molecular weight 281.11 g/mol. IUPAC: 2-heptyl-1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of 2-Heptyl-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione
Property Insights of 2-Heptyl-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione
The XLogP value of 3.5 indicates that 2-Heptyl-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Heptyl-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione. Following Lipinski's Rule of Five, 2-Heptyl-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione has 0 hydrogen bond donor(s) and 3 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 2-Heptyl-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione?
The CAS number of 2-Heptyl-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione is 7499-98-1.
What is the molecular formula of 2-Heptyl-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione?
The molecular formula of 2-Heptyl-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione is C14H19NO3S.
What is the molecular weight of 2-Heptyl-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione?
The molecular weight of 2-Heptyl-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione is 281.11 g/mol.
Where can I buy 2-Heptyl-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione?
You can request a quote for 2-Heptyl-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Heptyl-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 2-Heptyl-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.