Bionet1_004178
TL;DR: Bionet1_004178 (CAS 478062-89-4) is a chemical compound with molecular formula C18H18N4O2S and molecular weight 354.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,6-dimethylphenyl)-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]urea
Also Known As: Bionet1_004178, DivK1c_002674, CDS1_001634, N-(2,6-dimethylphenyl)-2-{[3-(1H-pyrrol-1-yl)-2-thienyl]carbonyl}-1-hydrazinecarboxamide, 6P-344S
| Molecular Formula | C18H18N4O2S |
|---|---|
| Molecular Weight | 354.12 g/mol |
| LogP | 3.62214 |
| Topological Polar Surface Area | 75.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.11505 |
| Heavy Atoms | 25 |
| Complexity | 879.45416 |
Chemical Identifiers
| CAS Number | 478062-89-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)NNC(=O)C2=C(C=CS2)N3C=CC=C3 |
Product Overview
Bionet1_004178 (CAS 478062-89-4), with molecular formula C18H18N4O2S and molecular weight 354.12 g/mol. IUPAC: 1-(2,6-dimethylphenyl)-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]urea.
Chemical Property Profile of Bionet1_004178
Property Insights of Bionet1_004178
The XLogP value of 3.62214 indicates that Bionet1_004178 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.16 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_004178. Following Lipinski's Rule of Five, Bionet1_004178 has 3 hydrogen bond donor(s) and 3 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 Bionet1_004178?
The CAS number of Bionet1_004178 is 478062-89-4.
What is the molecular formula of Bionet1_004178?
The molecular formula of Bionet1_004178 is C18H18N4O2S.
What is the molecular weight of Bionet1_004178?
The molecular weight of Bionet1_004178 is 354.12 g/mol.
Where can I buy Bionet1_004178?
You can request a quote for Bionet1_004178 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004178?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004178 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.