C18H17Cl2N3O
TL;DR: C18H17Cl2N3O (CAS 497060-99-8) is a chemical compound with molecular formula C18H17Cl2N3O and molecular weight 361.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dichlorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one
Also Known As: 3-(3,4-DICHLOROPHENYL)-1-(4-(2-PYRIDYL)PIPERAZINYL)PROP-2-EN-1-ONE, 3-(3,4-dichlorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one, 3-(3,4-dichlorophenyl)-1-[4-(2-pyridyl)piperazin-1-yl]prop-2-en-1-one, C18H17Cl2N3O
| Molecular Formula | C18H17Cl2N3O |
|---|---|
| Molecular Weight | 361.07 g/mol |
| LogP | 3.7504 |
| Topological Polar Surface Area | 36.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 361.07486 |
| Heavy Atoms | 24 |
| Complexity | 741.184 |
Chemical Identifiers
| CAS Number | 497060-99-8 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=N2)C(=O)C=CC3=CC(=C(C=C3)Cl)Cl |
Product Overview
C18H17Cl2N3O (CAS 497060-99-8), with molecular formula C18H17Cl2N3O and molecular weight 361.07 g/mol. IUPAC: 3-(3,4-dichlorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one.
Chemical Property Profile of C18H17Cl2N3O
Property Insights of C18H17Cl2N3O
The XLogP value of 3.7504 indicates that C18H17Cl2N3O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.44 Ų, C18H17Cl2N3O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C18H17Cl2N3O has 0 hydrogen bond donor(s) and 3 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 C18H17Cl2N3O?
The CAS number of C18H17Cl2N3O is 497060-99-8.
What is the molecular formula of C18H17Cl2N3O?
The molecular formula of C18H17Cl2N3O is C18H17Cl2N3O.
What is the molecular weight of C18H17Cl2N3O?
The molecular weight of C18H17Cl2N3O is 361.07 g/mol.
Where can I buy C18H17Cl2N3O?
You can request a quote for C18H17Cl2N3O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H17Cl2N3O?
Yes, KEHONG BIO provides custom synthesis services for C18H17Cl2N3O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.