F1816-0842
TL;DR: F1816-0842 (CAS 868674-24-2) is a chemical compound with molecular formula C20H16N2O4S and molecular weight 380.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Also Known As: F1816-0842, N-[(2Z)-4-methoxy-3-(prop-2-yn-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-benzodioxine-6-carboxamide, (Z)-N-(4-methoxy-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-ylidene)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide, N-(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
| Molecular Formula | C20H16N2O4S |
|---|---|
| Molecular Weight | 380.08 g/mol |
| LogP | 2.8569 |
| Topological Polar Surface Area | 62.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.08307 |
| Heavy Atoms | 27 |
| Complexity | 1137.0697 |
Chemical Identifiers
| CAS Number | 868674-24-2 |
|---|---|
| SMILES | COC1=C2C(=CC=C1)SC(=NC(=O)C3=CC4=C(C=C3)OCCO4)N2CC#C |
Product Overview
F1816-0842 (CAS 868674-24-2), with molecular formula C20H16N2O4S and molecular weight 380.08 g/mol. IUPAC: N-(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
Chemical Property Profile of F1816-0842
Property Insights of F1816-0842
The XLogP value of 2.8569 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1816-0842. The TPSA of 62.05 Ų falls within the moderate polarity range, balancing permeability and solubility for F1816-0842. Following Lipinski's Rule of Five, F1816-0842 has 0 hydrogen bond donor(s) and 5 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 F1816-0842?
The CAS number of F1816-0842 is 868674-24-2.
What is the molecular formula of F1816-0842?
The molecular formula of F1816-0842 is C20H16N2O4S.
What is the molecular weight of F1816-0842?
The molecular weight of F1816-0842 is 380.08 g/mol.
Where can I buy F1816-0842?
You can request a quote for F1816-0842 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1816-0842?
Yes, KEHONG BIO provides custom synthesis services for F1816-0842 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.