N-(6-nitro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
TL;DR: N-(6-nitro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CAS 477553-72-3) is a chemical compound with molecular formula C16H11N3O5S and molecular weight 357.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-nitro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Also Known As: N-(6-nitro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide, N-(6-nitrobenzo[d]thiazol-2-yl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide, N-[(2Z)-6-nitro-1,3-benzothiazol-2(3H)-ylidene]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
| Molecular Formula | C16H11N3O5S |
|---|---|
| Molecular Weight | 357.04 g/mol |
| LogP | 3.228 |
| Topological Polar Surface Area | 103.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.04193 |
| Heavy Atoms | 25 |
| Complexity | 1000.59894 |
Chemical Identifiers
| CAS Number | 477553-72-3 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-] |
Product Overview
N-(6-nitro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CAS 477553-72-3), with molecular formula C16H11N3O5S and molecular weight 357.04 g/mol. IUPAC: N-(6-nitro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
Chemical Property Profile of N-(6-nitro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Property Insights of N-(6-nitro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
The XLogP value of 3.228 indicates that N-(6-nitro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.59 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-nitro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide. Following Lipinski's Rule of Five, N-(6-nitro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has 1 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 N-(6-nitro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The CAS number of N-(6-nitro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is 477553-72-3.
What is the molecular formula of N-(6-nitro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The molecular formula of N-(6-nitro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is C16H11N3O5S.
What is the molecular weight of N-(6-nitro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The molecular weight of N-(6-nitro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is 357.04 g/mol.
Where can I buy N-(6-nitro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
You can request a quote for N-(6-nitro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-nitro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-nitro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.