BAS 00224353
TL;DR: BAS 00224353 (CAS 306766-69-8) is a chemical compound with molecular formula C18H16FN3O3S and molecular weight 373.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide
Also Known As: BAS 00224353, (E)-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide, N-[3-(4-fluorophenyl)acryloyl]-N'-{2-nitro-4,6-dimethylphenyl}thiourea, (2E)-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide, (E)-N-((2,4-dimethyl-6-nitrophenyl)carbamothioyl)-3-(4-fluorophenyl)acrylamide
| Molecular Formula | C18H16FN3O3S |
|---|---|
| Molecular Weight | 373.09 g/mol |
| LogP | 3.87714 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.08963 |
| Heavy Atoms | 26 |
| Complexity | 895.2995 |
Chemical Identifiers
| CAS Number | 306766-69-8 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)F)C |
Product Overview
BAS 00224353 (CAS 306766-69-8), with molecular formula C18H16FN3O3S and molecular weight 373.09 g/mol. IUPAC: (E)-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide.
Chemical Property Profile of BAS 00224353
Property Insights of BAS 00224353
The XLogP value of 3.87714 indicates that BAS 00224353 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00224353. Following Lipinski's Rule of Five, BAS 00224353 has 2 hydrogen bond donor(s) and 4 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 BAS 00224353?
The CAS number of BAS 00224353 is 306766-69-8.
What is the molecular formula of BAS 00224353?
The molecular formula of BAS 00224353 is C18H16FN3O3S.
What is the molecular weight of BAS 00224353?
The molecular weight of BAS 00224353 is 373.09 g/mol.
Where can I buy BAS 00224353?
You can request a quote for BAS 00224353 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00224353?
Yes, KEHONG BIO provides custom synthesis services for BAS 00224353 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.