3D-034
TL;DR: 3D-034 (CAS 338403-47-7) is a chemical compound with molecular formula C18H11Cl2F3N4O2 and molecular weight 442.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorobenzoyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carbohydrazide
Also Known As: 3D-034, 4-(4-chlorobenzoyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carbohydrazide, 4-(4-chlorobenzoyl)-N'-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-pyrrole-2-carbohydrazide, N'-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(4-chlorobenzoyl)-1H-pyrrole-2-carbohydrazide, 4-(4-Chlorobenzoyl)-1H-pyrrole-2-carboxylic acid 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazide
| Molecular Formula | C18H11Cl2F3N4O2 |
|---|---|
| Molecular Weight | 442.02 g/mol |
| LogP | 4.7232 |
| Topological Polar Surface Area | 86.88 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.02112 |
| Heavy Atoms | 29 |
| Complexity | 1065.7134 |
Chemical Identifiers
| CAS Number | 338403-47-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)C2=CNC(=C2)C(=O)NNC3=C(C=C(C=N3)C(F)(F)F)Cl)Cl |
Product Overview
3D-034 (CAS 338403-47-7), with molecular formula C18H11Cl2F3N4O2 and molecular weight 442.02 g/mol. IUPAC: 4-(4-chlorobenzoyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carbohydrazide.
Chemical Property Profile of 3D-034
Property Insights of 3D-034
The XLogP value of 4.7232 indicates that 3D-034 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 3D-034. Following Lipinski's Rule of Five, 3D-034 has 3 hydrogen bond donor(s) and 4 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 3D-034?
The CAS number of 3D-034 is 338403-47-7.
What is the molecular formula of 3D-034?
The molecular formula of 3D-034 is C18H11Cl2F3N4O2.
What is the molecular weight of 3D-034?
The molecular weight of 3D-034 is 442.02 g/mol.
Where can I buy 3D-034?
You can request a quote for 3D-034 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3D-034?
Yes, KEHONG BIO provides custom synthesis services for 3D-034 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.