F1366-4950
TL;DR: F1366-4950 (CAS 865249-16-7) is a chemical compound with molecular formula C22H18FN3O5S and molecular weight 455.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-[3-(2,5-dioxopyrrolidin-1-yl)benzoyl]imino-4-fluoro-1,3-benzothiazol-3-yl]acetate
Also Known As: F1366-4950, (Z)-ethyl 2-(2-((3-(2,5-dioxopyrrolidin-1-yl)benzoyl)imino)-4-fluorobenzo[d]thiazol-3(2H)-yl)acetate, ethyl 2-[(2Z)-2-{[3-(2,5-dioxopyrrolidin-1-yl)benzoyl]imino}-4-fluoro-2,3-dihydro-1,3-benzothiazol-3-yl]acetate, ethyl 2-[2-[3-(2,5-dioxopyrrolidin-1-yl)benzoyl]imino-4-fluoro-1,3-benzothiazol-3-yl]acetate, Ethyl 2-[2-[3-(2,5-dioxopyrrolidin-1-yl)benzoyl]imino-4-fluoro-benzothiazol-3-yl]acetate
| Molecular Formula | C22H18FN3O5S |
|---|---|
| Molecular Weight | 455.10 g/mol |
| LogP | 2.7995 |
| Topological Polar Surface Area | 98.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.09512 |
| Heavy Atoms | 32 |
| Complexity | 1310.5927 |
Chemical Identifiers
| CAS Number | 865249-16-7 |
|---|---|
| SMILES | CCOC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3=CC(=CC=C3)N4C(=O)CCC4=O)F |
Product Overview
F1366-4950 (CAS 865249-16-7), with molecular formula C22H18FN3O5S and molecular weight 455.10 g/mol. IUPAC: ethyl 2-[2-[3-(2,5-dioxopyrrolidin-1-yl)benzoyl]imino-4-fluoro-1,3-benzothiazol-3-yl]acetate.
Chemical Property Profile of F1366-4950
Property Insights of F1366-4950
The XLogP value of 2.7995 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1366-4950. The TPSA of 98.04 Ų falls within the moderate polarity range, balancing permeability and solubility for F1366-4950. Following Lipinski's Rule of Five, F1366-4950 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 F1366-4950?
The CAS number of F1366-4950 is 865249-16-7.
What is the molecular formula of F1366-4950?
The molecular formula of F1366-4950 is C22H18FN3O5S.
What is the molecular weight of F1366-4950?
The molecular weight of F1366-4950 is 455.10 g/mol.
Where can I buy F1366-4950?
You can request a quote for F1366-4950 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1366-4950?
Yes, KEHONG BIO provides custom synthesis services for F1366-4950 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.