BAS 00436053
TL;DR: BAS 00436053 (CAS 5926-31-8) is a chemical compound with molecular formula C18H15ClF2N4O2 and molecular weight 392.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloro-4,5-difluorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea
Also Known As: BAS 00436053, N-(2-chloro-4,5-difluorophenyl)-N'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)urea, 1-(2-chloro-4,5-difluorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea, N-(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))[(2-chloro-4,5-difluorophenyl )amino]carboxamide, RefChem:381602
| Molecular Formula | C18H15ClF2N4O2 |
|---|---|
| Molecular Weight | 392.09 g/mol |
| LogP | 4.06002 |
| Topological Polar Surface Area | 68.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 392.08517 |
| Heavy Atoms | 27 |
| Complexity | 1077.201 |
Chemical Identifiers
| CAS Number | 5926-31-8 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NC3=CC(=C(C=C3Cl)F)F |
Product Overview
BAS 00436053 (CAS 5926-31-8), with molecular formula C18H15ClF2N4O2 and molecular weight 392.09 g/mol. IUPAC: 1-(2-chloro-4,5-difluorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea.
Chemical Property Profile of BAS 00436053
Property Insights of BAS 00436053
The XLogP value of 4.06002 indicates that BAS 00436053 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.06 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00436053. Following Lipinski's Rule of Five, BAS 00436053 has 2 hydrogen bond donor(s) and 2 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 00436053?
The CAS number of BAS 00436053 is 5926-31-8.
What is the molecular formula of BAS 00436053?
The molecular formula of BAS 00436053 is C18H15ClF2N4O2.
What is the molecular weight of BAS 00436053?
The molecular weight of BAS 00436053 is 392.09 g/mol.
Where can I buy BAS 00436053?
You can request a quote for BAS 00436053 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00436053?
Yes, KEHONG BIO provides custom synthesis services for BAS 00436053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.