BAS 00331787
TL;DR: BAS 00331787 (CAS 331004-76-3) is a chemical compound with molecular formula C19H19N3O3S and molecular weight 369.11 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-methylphenyl)prop-2-enamide
Also Known As: BAS 00331787, 1-(2,4-Dimethyl-6-nitro-phenyl)-3-(3-p-tolyl-acryloyl)-thiourea, (E)-N-((2,4-dimethyl-6-nitrophenyl)carbamothioyl)-3-(p-tolyl)acrylamide, (2E)-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-3-(4-methylphenyl)prop-2-enamide, (E)-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-3-(4-methylphenyl)prop-2-enamide
| Molecular Formula | C19H19N3O3S |
|---|---|
| Molecular Weight | 369.11 g/mol |
| LogP | 4.04646 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.11472 |
| Heavy Atoms | 26 |
| Complexity | 889.6475 |
Chemical Identifiers
| CAS Number | 331004-76-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=C(C=C(C=C2[N+](=O)[O-])C)C |
Product Overview
BAS 00331787 (CAS 331004-76-3), with molecular formula C19H19N3O3S and molecular weight 369.11 g/mol. IUPAC: (E)-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-3-(4-methylphenyl)prop-2-enamide.
Chemical Property Profile of BAS 00331787
Property Insights of BAS 00331787
The XLogP value of 4.04646 indicates that BAS 00331787 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 00331787. Following Lipinski's Rule of Five, BAS 00331787 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 00331787?
The CAS number of BAS 00331787 is 331004-76-3.
What is the molecular formula of BAS 00331787?
The molecular formula of BAS 00331787 is C19H19N3O3S.
What is the molecular weight of BAS 00331787?
The molecular weight of BAS 00331787 is 369.11 g/mol.
Where can I buy BAS 00331787?
You can request a quote for BAS 00331787 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00331787?
Yes, KEHONG BIO provides custom synthesis services for BAS 00331787 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.