4-Chloro-N-(3-ethynylphenyl)benzenecarboxamide
TL;DR: 4-Chloro-N-(3-ethynylphenyl)benzenecarboxamide (CAS 70097-65-3) is a chemical compound with molecular formula C15H10ClNO and molecular weight 255.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-(3-ethynylphenyl)benzamide
Also Known As: 4-Chloro-N-(3-ethynylphenyl)benzenecarboxamide, 4-chloro-N-(3-ethynylphenyl)benzamide, 4-Benzyloxybenzotrifluoride, chloroethynylphenylbenzenecarboxamide, 1573AF
| Molecular Formula | C15H10ClNO |
|---|---|
| Molecular Weight | 255.05 g/mol |
| LogP | 3.5736 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.04509 |
| Heavy Atoms | 18 |
| Complexity | 611.13586 |
Chemical Identifiers
| CAS Number | 70097-65-3 |
|---|---|
| SMILES | C#CC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)Cl |
Product Overview
4-Chloro-N-(3-ethynylphenyl)benzenecarboxamide (CAS 70097-65-3), with molecular formula C15H10ClNO and molecular weight 255.05 g/mol. IUPAC: 4-chloro-N-(3-ethynylphenyl)benzamide.
Chemical Property Profile of 4-Chloro-N-(3-ethynylphenyl)benzenecarboxamide
Property Insights of 4-Chloro-N-(3-ethynylphenyl)benzenecarboxamide
The XLogP value of 3.5736 indicates that 4-Chloro-N-(3-ethynylphenyl)benzenecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 4-Chloro-N-(3-ethynylphenyl)benzenecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-N-(3-ethynylphenyl)benzenecarboxamide has 1 hydrogen bond donor(s) and 1 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 4-Chloro-N-(3-ethynylphenyl)benzenecarboxamide?
The CAS number of 4-Chloro-N-(3-ethynylphenyl)benzenecarboxamide is 70097-65-3.
What is the molecular formula of 4-Chloro-N-(3-ethynylphenyl)benzenecarboxamide?
The molecular formula of 4-Chloro-N-(3-ethynylphenyl)benzenecarboxamide is C15H10ClNO.
What is the molecular weight of 4-Chloro-N-(3-ethynylphenyl)benzenecarboxamide?
The molecular weight of 4-Chloro-N-(3-ethynylphenyl)benzenecarboxamide is 255.05 g/mol.
Where can I buy 4-Chloro-N-(3-ethynylphenyl)benzenecarboxamide?
You can request a quote for 4-Chloro-N-(3-ethynylphenyl)benzenecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-N-(3-ethynylphenyl)benzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-N-(3-ethynylphenyl)benzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.