C16H11Cl2N5O
TL;DR: C16H11Cl2N5O (CAS 634898-69-4) is a chemical compound with molecular formula C16H11Cl2N5O and molecular weight 359.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dichlorophenyl)-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-5-carboxamide
Also Known As: (E)-3-(3,4-dichlorophenyl)-N'-(pyridin-4-ylmethylene)-1H-pyrazole-5-carbohydrazide, 5-(3,4-dichlorophenyl)-N'-[(E)-pyridin-4-ylmethylidene]-1H-pyrazole-3-carbohydrazide
| Molecular Formula | C16H11Cl2N5O |
|---|---|
| Molecular Weight | 359.03 g/mol |
| LogP | 3.5424 |
| Topological Polar Surface Area | 83.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.03406 |
| Heavy Atoms | 24 |
| Complexity | 892.4932 |
Chemical Identifiers
| CAS Number | 634898-69-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2=NNC(=C2)C(=O)N/N=C/C3=CC=NC=C3)Cl)Cl |
Product Overview
C16H11Cl2N5O (CAS 634898-69-4), with molecular formula C16H11Cl2N5O and molecular weight 359.03 g/mol. IUPAC: 3-(3,4-dichlorophenyl)-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-5-carboxamide.
Chemical Property Profile of C16H11Cl2N5O
Property Insights of C16H11Cl2N5O
The XLogP value of 3.5424 indicates that C16H11Cl2N5O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.03 Ų falls within the moderate polarity range, balancing permeability and solubility for C16H11Cl2N5O. Following Lipinski's Rule of Five, C16H11Cl2N5O has 2 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 C16H11Cl2N5O?
The CAS number of C16H11Cl2N5O is 634898-69-4.
What is the molecular formula of C16H11Cl2N5O?
The molecular formula of C16H11Cl2N5O is C16H11Cl2N5O.
What is the molecular weight of C16H11Cl2N5O?
The molecular weight of C16H11Cl2N5O is 359.03 g/mol.
Where can I buy C16H11Cl2N5O?
You can request a quote for C16H11Cl2N5O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H11Cl2N5O?
Yes, KEHONG BIO provides custom synthesis services for C16H11Cl2N5O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.