F1381-2057
TL;DR: F1381-2057 (CAS 6285-25-2) is a chemical compound with molecular formula C16H12ClN3O3S2 and molecular weight 393.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3-(5-nitrothiophen-2-yl)prop-2-enamide
Also Known As: F1381-2057, N-(4-Chloro-3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-3-(5-nitrothiophen-2-yl)prop-2-enamide, N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3-(5-nitrothiophen-2-yl)prop-2-enamide, N-(4-chloro-3-ethyl-benzothiazol-2-ylidene)-3-(5-nitrothiophen-2-yl)prop-2-enamide, (2E,NE)-N-(4-chloro-3-ethylbenzo[d]thiazol-2(3H)-ylidene)-3-(5-nitrothiophen-2-yl)acrylamide
| Molecular Formula | C16H12ClN3O3S2 |
|---|---|
| Molecular Weight | 393.00 g/mol |
| LogP | 4.4865 |
| Topological Polar Surface Area | 77.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.00085 |
| Heavy Atoms | 25 |
| Complexity | 1062.1947 |
Chemical Identifiers
| CAS Number | 6285-25-2 |
|---|---|
| SMILES | CCN1C2=C(C=CC=C2Cl)SC1=NC(=O)C=CC3=CC=C(S3)[N+](=O)[O-] |
Product Overview
F1381-2057 (CAS 6285-25-2), with molecular formula C16H12ClN3O3S2 and molecular weight 393.00 g/mol. IUPAC: N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3-(5-nitrothiophen-2-yl)prop-2-enamide.
Chemical Property Profile of F1381-2057
Property Insights of F1381-2057
The XLogP value of 4.4865 indicates that F1381-2057 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for F1381-2057. Following Lipinski's Rule of Five, F1381-2057 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 F1381-2057?
The CAS number of F1381-2057 is 6285-25-2.
What is the molecular formula of F1381-2057?
The molecular formula of F1381-2057 is C16H12ClN3O3S2.
What is the molecular weight of F1381-2057?
The molecular weight of F1381-2057 is 393.00 g/mol.
Where can I buy F1381-2057?
You can request a quote for F1381-2057 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1381-2057?
Yes, KEHONG BIO provides custom synthesis services for F1381-2057 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.