6-nitro-1,1-dioxo-N,N-bis(2-prop-2-enoxyethyl)-1,2-benzothiazol-3-amine
TL;DR: 6-nitro-1,1-dioxo-N,N-bis(2-prop-2-enoxyethyl)-1,2-benzothiazol-3-amine (CAS 6060-01-1) is a chemical compound with molecular formula C17H21N3O6S and molecular weight 395.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-1,1-dioxo-N,N-bis(2-prop-2-enoxyethyl)-1,2-benzothiazol-3-amine
Also Known As: BIM-0030493.P001, 6-nitro-1,1-dioxo-N,N-bis(2-prop-2-enoxyethyl)-1,2-benzothiazol-3-amine, N,N-bis[2-(allyloxy)ethyl]-6-nitro-1,2-benzisothiazol-3-amine 1,1-dioxide, A0812/0038016, 3-{bis[2-(allyloxy)ethyl]amino}-6-nitro-1,2-benzisothiazole 1,1-dioxide
| Molecular Formula | C17H21N3O6S |
|---|---|
| Molecular Weight | 395.12 g/mol |
| LogP | 1.7509 |
| Topological Polar Surface Area | 111.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 395.1151 |
| Heavy Atoms | 27 |
| Complexity | 834.22473 |
Chemical Identifiers
| CAS Number | 6060-01-1 |
|---|---|
| SMILES | C=CCOCCN(CCOCC=C)C1=NS(=O)(=O)C2=C1C=CC(=C2)[N+](=O)[O-] |
Product Overview
6-nitro-1,1-dioxo-N,N-bis(2-prop-2-enoxyethyl)-1,2-benzothiazol-3-amine (CAS 6060-01-1), with molecular formula C17H21N3O6S and molecular weight 395.12 g/mol. IUPAC: 6-nitro-1,1-dioxo-N,N-bis(2-prop-2-enoxyethyl)-1,2-benzothiazol-3-amine.
Chemical Property Profile of 6-nitro-1,1-dioxo-N,N-bis(2-prop-2-enoxyethyl)-1,2-benzothiazol-3-amine
Property Insights of 6-nitro-1,1-dioxo-N,N-bis(2-prop-2-enoxyethyl)-1,2-benzothiazol-3-amine
The XLogP value of 1.7509 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-nitro-1,1-dioxo-N,N-bis(2-prop-2-enoxyethyl)-1,2-benzothiazol-3-amine. The TPSA of 111.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-nitro-1,1-dioxo-N,N-bis(2-prop-2-enoxyethyl)-1,2-benzothiazol-3-amine. Following Lipinski's Rule of Five, 6-nitro-1,1-dioxo-N,N-bis(2-prop-2-enoxyethyl)-1,2-benzothiazol-3-amine has 0 hydrogen bond donor(s) and 7 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 6-nitro-1,1-dioxo-N,N-bis(2-prop-2-enoxyethyl)-1,2-benzothiazol-3-amine?
The CAS number of 6-nitro-1,1-dioxo-N,N-bis(2-prop-2-enoxyethyl)-1,2-benzothiazol-3-amine is 6060-01-1.
What is the molecular formula of 6-nitro-1,1-dioxo-N,N-bis(2-prop-2-enoxyethyl)-1,2-benzothiazol-3-amine?
The molecular formula of 6-nitro-1,1-dioxo-N,N-bis(2-prop-2-enoxyethyl)-1,2-benzothiazol-3-amine is C17H21N3O6S.
What is the molecular weight of 6-nitro-1,1-dioxo-N,N-bis(2-prop-2-enoxyethyl)-1,2-benzothiazol-3-amine?
The molecular weight of 6-nitro-1,1-dioxo-N,N-bis(2-prop-2-enoxyethyl)-1,2-benzothiazol-3-amine is 395.12 g/mol.
Where can I buy 6-nitro-1,1-dioxo-N,N-bis(2-prop-2-enoxyethyl)-1,2-benzothiazol-3-amine?
You can request a quote for 6-nitro-1,1-dioxo-N,N-bis(2-prop-2-enoxyethyl)-1,2-benzothiazol-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-nitro-1,1-dioxo-N,N-bis(2-prop-2-enoxyethyl)-1,2-benzothiazol-3-amine?
Yes, KEHONG BIO provides custom synthesis services for 6-nitro-1,1-dioxo-N,N-bis(2-prop-2-enoxyethyl)-1,2-benzothiazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.