2H-027
TL;DR: 2H-027 (CAS 338397-62-9) is a chemical compound with molecular formula C18H8Cl2F3N3O and molecular weight 409.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorobenzoyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbonitrile
Also Known As: 2H-027, 4-(4-chlorobenzoyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carbonitrile, 4-(4-chlorobenzoyl)-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrole-2-carbonitrile, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(4-chlorobenzoyl)-1H-pyrrole-2-carbonitrile, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(4-chlorobenzoyl)pyrrole-2-carbonitrile
| Molecular Formula | C18H8Cl2F3N3O |
|---|---|
| Molecular Weight | 409.00 g/mol |
| LogP | 5.30058 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 408.99966 |
| Heavy Atoms | 27 |
| Complexity | 1066.9364 |
Chemical Identifiers
| CAS Number | 338397-62-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)C2=CN(C(=C2)C#N)C3=C(C=C(C=N3)C(F)(F)F)Cl)Cl |
Product Overview
2H-027 (CAS 338397-62-9), with molecular formula C18H8Cl2F3N3O and molecular weight 409.00 g/mol. IUPAC: 4-(4-chlorobenzoyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbonitrile.
Chemical Property Profile of 2H-027
Property Insights of 2H-027
The XLogP value of 5.30058 indicates that 2H-027 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.68 Ų, 2H-027 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-027 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 2H-027?
The CAS number of 2H-027 is 338397-62-9.
What is the molecular formula of 2H-027?
The molecular formula of 2H-027 is C18H8Cl2F3N3O.
What is the molecular weight of 2H-027?
The molecular weight of 2H-027 is 409.00 g/mol.
Where can I buy 2H-027?
You can request a quote for 2H-027 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-027?
Yes, KEHONG BIO provides custom synthesis services for 2H-027 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.