2H-053
TL;DR: 2H-053 (CAS 338397-78-7) is a chemical compound with molecular formula C17H11Cl2F3N4O and molecular weight 414.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]urea
Also Known As: 2H-053, N-(4-chlorophenyl)-N'-{1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrol-2-yl}urea, 1-(4-chlorophenyl)-3-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrol-2-yl]urea, 3-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-pyrrol-2-yl}-1-(4-chlorophenyl)urea, 3-(4-chlorophenyl)-1-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrol-2-yl]urea
| Molecular Formula | C17H11Cl2F3N4O |
|---|---|
| Molecular Weight | 414.03 g/mol |
| LogP | 5.8419 |
| Topological Polar Surface Area | 58.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 414.0262 |
| Heavy Atoms | 27 |
| Complexity | 971.055 |
Chemical Identifiers
| CAS Number | 338397-78-7 |
|---|---|
| SMILES | C1=CN(C(=C1)NC(=O)NC2=CC=C(C=C2)Cl)C3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
2H-053 (CAS 338397-78-7), with molecular formula C17H11Cl2F3N4O and molecular weight 414.03 g/mol. IUPAC: 1-(4-chlorophenyl)-3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]urea.
Chemical Property Profile of 2H-053
Property Insights of 2H-053
The XLogP value of 5.8419 indicates that 2H-053 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.95 Ų, 2H-053 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-053 has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2H-053?
The CAS number of 2H-053 is 338397-78-7.
What is the molecular formula of 2H-053?
The molecular formula of 2H-053 is C17H11Cl2F3N4O.
What is the molecular weight of 2H-053?
The molecular weight of 2H-053 is 414.03 g/mol.
Where can I buy 2H-053?
You can request a quote for 2H-053 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-053?
Yes, KEHONG BIO provides custom synthesis services for 2H-053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.