![3,4-dichloro-N-[4-(2-phenylethynyl)phenyl]benzamide structure](/static/products/4390/439095-78-0.webp)
3,4-dichloro-N-[4-(2-phenylethynyl)phenyl]benzamide
TL;DR: 3,4-dichloro-N-[4-(2-phenylethynyl)phenyl]benzamide (CAS 439095-78-0) is a chemical compound with molecular formula C21H13Cl2NO and molecular weight 365.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dichloro-N-[4-(2-phenylethynyl)phenyl]benzamide
Also Known As: Bionet1_000061, MixCom2_000241, 3,4-dichloro-N-[4-(2-phenylethynyl)phenyl]benzamide, 1T-1167, 3,4-dichloro-N-[4-(2-phenylethynyl)phenyl]benzenecarboxamide
| Molecular Formula | C21H13Cl2NO |
|---|---|
| Molecular Weight | 365.04 g/mol |
| LogP | 5.6455 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 365.0374 |
| Heavy Atoms | 25 |
| Complexity | 954.6814 |
Chemical Identifiers
| CAS Number | 439095-78-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CC2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)Cl |
Product Overview
3,4-dichloro-N-[4-(2-phenylethynyl)phenyl]benzamide (CAS 439095-78-0), with molecular formula C21H13Cl2NO and molecular weight 365.04 g/mol. IUPAC: 3,4-dichloro-N-[4-(2-phenylethynyl)phenyl]benzamide.
Chemical Property Profile of 3,4-dichloro-N-[4-(2-phenylethynyl)phenyl]benzamide
Property Insights of 3,4-dichloro-N-[4-(2-phenylethynyl)phenyl]benzamide
The XLogP value of 5.6455 indicates that 3,4-dichloro-N-[4-(2-phenylethynyl)phenyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 3,4-dichloro-N-[4-(2-phenylethynyl)phenyl]benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-dichloro-N-[4-(2-phenylethynyl)phenyl]benzamide has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4-dichloro-N-[4-(2-phenylethynyl)phenyl]benzamide?
The CAS number of 3,4-dichloro-N-[4-(2-phenylethynyl)phenyl]benzamide is 439095-78-0.
What is the molecular formula of 3,4-dichloro-N-[4-(2-phenylethynyl)phenyl]benzamide?
The molecular formula of 3,4-dichloro-N-[4-(2-phenylethynyl)phenyl]benzamide is C21H13Cl2NO.
What is the molecular weight of 3,4-dichloro-N-[4-(2-phenylethynyl)phenyl]benzamide?
The molecular weight of 3,4-dichloro-N-[4-(2-phenylethynyl)phenyl]benzamide is 365.04 g/mol.
Where can I buy 3,4-dichloro-N-[4-(2-phenylethynyl)phenyl]benzamide?
You can request a quote for 3,4-dichloro-N-[4-(2-phenylethynyl)phenyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dichloro-N-[4-(2-phenylethynyl)phenyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dichloro-N-[4-(2-phenylethynyl)phenyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.