3H-025
TL;DR: 3H-025 (CAS 338406-99-8) is a chemical compound with molecular formula C19H10Cl2F3N3O and molecular weight 423.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(4-chlorophenyl)acetyl]-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbonitrile
Also Known As: 3H-025, 4-[2-(4-chlorophenyl)acetyl]-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carbonitrile, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[2-(4-chlorophenyl)acetyl]-1H-pyrrole-2-carbonitrile, 4-[2-(4-chlorophenyl)acetyl]-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrole-2-carbonitrile
| Molecular Formula | C19H10Cl2F3N3O |
|---|---|
| Molecular Weight | 423.02 g/mol |
| LogP | 5.49498 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.0153 |
| Heavy Atoms | 28 |
| Complexity | 1083.2838 |
Chemical Identifiers
| CAS Number | 338406-99-8 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(=O)C2=CN(C(=C2)C#N)C3=C(C=C(C=N3)C(F)(F)F)Cl)Cl |
Product Overview
3H-025 (CAS 338406-99-8), with molecular formula C19H10Cl2F3N3O and molecular weight 423.02 g/mol. IUPAC: 4-[2-(4-chlorophenyl)acetyl]-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbonitrile.
Chemical Property Profile of 3H-025
Property Insights of 3H-025
The XLogP value of 5.49498 indicates that 3H-025 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.68 Ų, 3H-025 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-025 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3H-025?
The CAS number of 3H-025 is 338406-99-8.
What is the molecular formula of 3H-025?
The molecular formula of 3H-025 is C19H10Cl2F3N3O.
What is the molecular weight of 3H-025?
The molecular weight of 3H-025 is 423.02 g/mol.
Where can I buy 3H-025?
You can request a quote for 3H-025 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-025?
Yes, KEHONG BIO provides custom synthesis services for 3H-025 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.