2-(2-Propynylamino)-5-chloro-benzophenone
TL;DR: 2-(2-Propynylamino)-5-chloro-benzophenone (CAS 56428-69-4) is a chemical compound with molecular formula C16H12ClNO and molecular weight 269.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-chloro-2-(prop-2-ynylamino)phenyl]-phenylmethanone
Also Known As: 2-(2-Propynylamino)-5-chloro-benzophenone, 2-Propargylamino-5-chlorbenzophenon, [5-chloro-2-(prop-2-ynylamino)phenyl]-phenylmethanone, Methanone, [5-chloro-2-(2-propynylamino)phenyl]phenyl-, {5-Chloro-2-[(prop-2-yn-1-yl)amino]phenyl}(phenyl)methanone
| Molecular Formula | C16H12ClNO |
|---|---|
| Molecular Weight | 269.06 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.06073 |
| Heavy Atoms | 19 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 56428-69-4 |
|---|---|
| SMILES | C#CCNC1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2 |
| InChIKey | TXZMSINCINMNAL-UHFFFAOYSA-N |
Product Overview
2-(2-Propynylamino)-5-chloro-benzophenone (CAS 56428-69-4), with molecular formula C16H12ClNO and molecular weight 269.06 g/mol. IUPAC: [5-chloro-2-(prop-2-ynylamino)phenyl]-phenylmethanone.
Chemical Property Profile of 2-(2-Propynylamino)-5-chloro-benzophenone
Property Insights of 2-(2-Propynylamino)-5-chloro-benzophenone
The XLogP value of 4.5 indicates that 2-(2-Propynylamino)-5-chloro-benzophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 2-(2-Propynylamino)-5-chloro-benzophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Propynylamino)-5-chloro-benzophenone has 1 hydrogen bond donor(s) and 2 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 2-(2-Propynylamino)-5-chloro-benzophenone?
The CAS number of 2-(2-Propynylamino)-5-chloro-benzophenone is 56428-69-4.
What is the molecular formula of 2-(2-Propynylamino)-5-chloro-benzophenone?
The molecular formula of 2-(2-Propynylamino)-5-chloro-benzophenone is C16H12ClNO.
What is the molecular weight of 2-(2-Propynylamino)-5-chloro-benzophenone?
The molecular weight of 2-(2-Propynylamino)-5-chloro-benzophenone is 269.06 g/mol.
Where can I buy 2-(2-Propynylamino)-5-chloro-benzophenone?
You can request a quote for 2-(2-Propynylamino)-5-chloro-benzophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Propynylamino)-5-chloro-benzophenone?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Propynylamino)-5-chloro-benzophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.