F1105-0397
TL;DR: F1105-0397 (CAS 683237-81-2) is a chemical compound with molecular formula C18H15N3O5S2 and molecular weight 417.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)-3-(3-nitrophenyl)prop-2-enamide
Also Known As: F1105-0397, (2E)-N-[(2Z)-6-methanesulfonyl-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-3-(3-nitrophenyl)prop-2-enamide, (2E,NZ)-N-(3-methyl-6-(methylsulfonyl)benzo[d]thiazol-2(3H)-ylidene)-3-(3-nitrophenyl)acrylamide, N-(3-methyl-6-methylsulfonyl-benzothiazol-2-ylidene)-3-(3-nitrophenyl)prop-2-enamide, (E)-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)-3-(3-nitrophenyl)prop-2-enamide
| Molecular Formula | C18H15N3O5S2 |
|---|---|
| Molecular Weight | 417.05 g/mol |
| LogP | 2.6922 |
| Topological Polar Surface Area | 111.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.04532 |
| Heavy Atoms | 28 |
| Complexity | 1300.2474 |
Chemical Identifiers
| CAS Number | 683237-81-2 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
F1105-0397 (CAS 683237-81-2), with molecular formula C18H15N3O5S2 and molecular weight 417.05 g/mol. IUPAC: (E)-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)-3-(3-nitrophenyl)prop-2-enamide.
Chemical Property Profile of F1105-0397
Property Insights of F1105-0397
The XLogP value of 2.6922 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1105-0397. The TPSA of 111.64 Ų falls within the moderate polarity range, balancing permeability and solubility for F1105-0397. Following Lipinski's Rule of Five, F1105-0397 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 F1105-0397?
The CAS number of F1105-0397 is 683237-81-2.
What is the molecular formula of F1105-0397?
The molecular formula of F1105-0397 is C18H15N3O5S2.
What is the molecular weight of F1105-0397?
The molecular weight of F1105-0397 is 417.05 g/mol.
Where can I buy F1105-0397?
You can request a quote for F1105-0397 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1105-0397?
Yes, KEHONG BIO provides custom synthesis services for F1105-0397 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.