N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
TL;DR: N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CAS 477555-99-0) is a chemical compound with molecular formula C18H13N3O3S2 and molecular weight 383.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Also Known As: N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide, N-(7-methyl[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide, N-{11-methyl-3,10-dithia-5,12-diazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide, N-(7-methyl-2-thiazolo[5,4-e][1,3]benzothiazolyl)-2,3-dihydro-1,4-benzodioxin-6-carboxamide, N-(7-methylbenzo[1,2-d:3,4-d']bis(thiazole)-2-yl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide
| Molecular Formula | C18H13N3O3S2 |
|---|---|
| Molecular Weight | 383.04 g/mol |
| LogP | 4.23792 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 383.03983 |
| Heavy Atoms | 26 |
| Complexity | 1165.3761 |
Chemical Identifiers
| CAS Number | 477555-99-0 |
|---|---|
| SMILES | CC1=NC2=C(S1)C=CC3=C2SC(=N3)NC(=O)C4=CC5=C(C=C4)OCCO5 |
Product Overview
N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CAS 477555-99-0), with molecular formula C18H13N3O3S2 and molecular weight 383.04 g/mol. IUPAC: N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
Chemical Property Profile of N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Property Insights of N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
The XLogP value of 4.23792 indicates that N-(7-methyl-[1,3]thiazolo[5,4-e][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 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide. Following Lipinski's Rule of Five, N-(7-methyl-[1,3]thiazolo[5,4-e][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-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The CAS number of N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is 477555-99-0.
What is the molecular formula of N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The molecular formula of N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is C18H13N3O3S2.
What is the molecular weight of N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The molecular weight of N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is 383.04 g/mol.
Where can I buy N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
You can request a quote for N-(7-methyl-[1,3]thiazolo[5,4-e][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-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(7-methyl-[1,3]thiazolo[5,4-e][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.