5K-012
TL;DR: 5K-012 (CAS 338956-40-4) is a chemical compound with molecular formula C20H17ClF3N3O and molecular weight 407.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-propan-2-ylphenyl)pyrrole-2-carboxamide
Also Known As: 5K-012, 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-isopropylphenyl)-1H-pyrrole-2-carboxamide, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(4-propan-2-ylphenyl)pyrrole-2-carboxamide, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[4-(propan-2-yl)phenyl]-1H-pyrrole-2-carboxamide
| Molecular Formula | C20H17ClF3N3O |
|---|---|
| Molecular Weight | 407.10 g/mol |
| LogP | 5.9202 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.10123 |
| Heavy Atoms | 28 |
| Complexity | 994.67566 |
Chemical Identifiers
| CAS Number | 338956-40-4 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)NC(=O)C2=CC=CN2C3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
5K-012 (CAS 338956-40-4), with molecular formula C20H17ClF3N3O and molecular weight 407.10 g/mol. IUPAC: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-propan-2-ylphenyl)pyrrole-2-carboxamide.
Chemical Property Profile of 5K-012
Property Insights of 5K-012
The XLogP value of 5.9202 indicates that 5K-012 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.92 Ų, 5K-012 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5K-012 has 1 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 5K-012?
The CAS number of 5K-012 is 338956-40-4.
What is the molecular formula of 5K-012?
The molecular formula of 5K-012 is C20H17ClF3N3O.
What is the molecular weight of 5K-012?
The molecular weight of 5K-012 is 407.10 g/mol.
Where can I buy 5K-012?
You can request a quote for 5K-012 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5K-012?
Yes, KEHONG BIO provides custom synthesis services for 5K-012 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.