![N-(4-fluoro-1,3-benzothiazol-2-yl)-10,13-dioxa-4-thia-6-azatricyclo[7.4.0.0^{3,7}]trideca-1,3(7),5,8-tetraen-5-amine structure](/static/products/862/862976-98-5.png)
N-(4-fluoro-1,3-benzothiazol-2-yl)-10,13-dioxa-4-thia-6-azatricyclo[7.4.0.0^{3,7}]trideca-1,3(7),5,8-tetraen-5-amine
TL;DR: N-(4-fluoro-1,3-benzothiazol-2-yl)-10,13-dioxa-4-thia-6-azatricyclo[7.4.0.0^{3,7}]trideca-1,3(7),5,8-tetraen-5-amine (CAS 862976-98-5) is a chemical compound with molecular formula C16H10FN3O2S2 and molecular weight 359.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-fluoro-1,3-benzothiazol-2-yl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine
Also Known As: N-(4-fluoro-1,3-benzothiazol-2-yl)-10,13-dioxa-4-thia-6-azatricyclo[7.4.0.0^{3,7}]trideca-1,3(7),5,8-tetraen-5-amine, N-(4-fluoro-1,3-benzothiazol-2-yl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine, N-(4-fluorobenzo[d]thiazol-2-yl)-6,7-dihydro-[1,4]dioxino[2',3':4,5]benzo[1,2-d]thiazol-2-amine, (4-fluoro-1,3-benzothiazol-2-yl)-10,13-dioxa-4-thia-6-azatricyclo[7.4.0.0(3),]trideca-1(9),2,5,7-tetraen-5-ylamine
| Molecular Formula | C16H10FN3O2S2 |
|---|---|
| Molecular Weight | 359.02 g/mol |
| LogP | 4.5599 |
| Topological Polar Surface Area | 56.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 359.01984 |
| Heavy Atoms | 24 |
| Complexity | 1032.9995 |
Chemical Identifiers
| CAS Number | 862976-98-5 |
|---|---|
| SMILES | C1COC2=C(O1)C=C3C(=C2)SC(=N3)NC4=NC5=C(C=CC=C5S4)F |
Product Overview
N-(4-fluoro-1,3-benzothiazol-2-yl)-10,13-dioxa-4-thia-6-azatricyclo[7.4.0.0^{3,7}]trideca-1,3(7),5,8-tetraen-5-amine (CAS 862976-98-5), with molecular formula C16H10FN3O2S2 and molecular weight 359.02 g/mol. IUPAC: N-(4-fluoro-1,3-benzothiazol-2-yl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine.
Chemical Property Profile of N-(4-fluoro-1,3-benzothiazol-2-yl)-10,13-dioxa-4-thia-6-azatricyclo[7.4.0.0^{3,7}]trideca-1,3(7),5,8-tetraen-5-amine
Property Insights of N-(4-fluoro-1,3-benzothiazol-2-yl)-10,13-dioxa-4-thia-6-azatricyclo[7.4.0.0^{3,7}]trideca-1,3(7),5,8-tetraen-5-amine
The XLogP value of 4.5599 indicates that N-(4-fluoro-1,3-benzothiazol-2-yl)-10,13-dioxa-4-thia-6-azatricyclo[7.4.0.0^{3,7}]trideca-1,3(7),5,8-tetraen-5-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.27 Ų, N-(4-fluoro-1,3-benzothiazol-2-yl)-10,13-dioxa-4-thia-6-azatricyclo[7.4.0.0^{3,7}]trideca-1,3(7),5,8-tetraen-5-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-fluoro-1,3-benzothiazol-2-yl)-10,13-dioxa-4-thia-6-azatricyclo[7.4.0.0^{3,7}]trideca-1,3(7),5,8-tetraen-5-amine 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-(4-fluoro-1,3-benzothiazol-2-yl)-10,13-dioxa-4-thia-6-azatricyclo[7.4.0.0^{3,7}]trideca-1,3(7),5,8-tetraen-5-amine?
The CAS number of N-(4-fluoro-1,3-benzothiazol-2-yl)-10,13-dioxa-4-thia-6-azatricyclo[7.4.0.0^{3,7}]trideca-1,3(7),5,8-tetraen-5-amine is 862976-98-5.
What is the molecular formula of N-(4-fluoro-1,3-benzothiazol-2-yl)-10,13-dioxa-4-thia-6-azatricyclo[7.4.0.0^{3,7}]trideca-1,3(7),5,8-tetraen-5-amine?
The molecular formula of N-(4-fluoro-1,3-benzothiazol-2-yl)-10,13-dioxa-4-thia-6-azatricyclo[7.4.0.0^{3,7}]trideca-1,3(7),5,8-tetraen-5-amine is C16H10FN3O2S2.
What is the molecular weight of N-(4-fluoro-1,3-benzothiazol-2-yl)-10,13-dioxa-4-thia-6-azatricyclo[7.4.0.0^{3,7}]trideca-1,3(7),5,8-tetraen-5-amine?
The molecular weight of N-(4-fluoro-1,3-benzothiazol-2-yl)-10,13-dioxa-4-thia-6-azatricyclo[7.4.0.0^{3,7}]trideca-1,3(7),5,8-tetraen-5-amine is 359.02 g/mol.
Where can I buy N-(4-fluoro-1,3-benzothiazol-2-yl)-10,13-dioxa-4-thia-6-azatricyclo[7.4.0.0^{3,7}]trideca-1,3(7),5,8-tetraen-5-amine?
You can request a quote for N-(4-fluoro-1,3-benzothiazol-2-yl)-10,13-dioxa-4-thia-6-azatricyclo[7.4.0.0^{3,7}]trideca-1,3(7),5,8-tetraen-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-fluoro-1,3-benzothiazol-2-yl)-10,13-dioxa-4-thia-6-azatricyclo[7.4.0.0^{3,7}]trideca-1,3(7),5,8-tetraen-5-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-fluoro-1,3-benzothiazol-2-yl)-10,13-dioxa-4-thia-6-azatricyclo[7.4.0.0^{3,7}]trideca-1,3(7),5,8-tetraen-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.