F1816-0435
TL;DR: F1816-0435 (CAS 868377-77-9) 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-(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitrofuran-2-carboxamide
Also Known As: F1816-0435, N-[(2Z)-4-methoxy-3-(prop-2-yn-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]-5-nitrofuran-2-carboxamide, N-(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitrofuran-2-carboxamide, (Z)-N-(4-methoxy-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-ylidene)-5-nitrofuran-2-carboxamide
| Molecular Formula | C16H11N3O5S |
|---|---|
| Molecular Weight | 357.04 g/mol |
| LogP | 2.5869 |
| Topological Polar Surface Area | 99.87 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.04193 |
| Heavy Atoms | 25 |
| Complexity | 1083.3142 |
Chemical Identifiers
| CAS Number | 868377-77-9 |
|---|---|
| SMILES | COC1=C2C(=CC=C1)SC(=NC(=O)C3=CC=C(O3)[N+](=O)[O-])N2CC#C |
Product Overview
F1816-0435 (CAS 868377-77-9), with molecular formula C16H11N3O5S and molecular weight 357.04 g/mol. IUPAC: N-(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitrofuran-2-carboxamide.
Chemical Property Profile of F1816-0435
Property Insights of F1816-0435
The XLogP value of 2.5869 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1816-0435. The TPSA of 99.87 Ų falls within the moderate polarity range, balancing permeability and solubility for F1816-0435. Following Lipinski's Rule of Five, F1816-0435 has 0 hydrogen bond donor(s) and 6 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 F1816-0435?
The CAS number of F1816-0435 is 868377-77-9.
What is the molecular formula of F1816-0435?
The molecular formula of F1816-0435 is C16H11N3O5S.
What is the molecular weight of F1816-0435?
The molecular weight of F1816-0435 is 357.04 g/mol.
Where can I buy F1816-0435?
You can request a quote for F1816-0435 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1816-0435?
Yes, KEHONG BIO provides custom synthesis services for F1816-0435 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.