丙炔草胺
TL;DR: 丙炔草胺 (CAS 21267-72-1) is a chemical compound with molecular formula C12H12ClNO and molecular weight 221.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙炔草胺
N-but-3-yn-2-yl-2-chloro-N-phenylacetamide
Also Known As: Prynachlor, Basamaize, Butisane, Butisan, Prynachlore
| Molecular Formula | C12H12ClNO |
|---|---|
| Molecular Weight | 221.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.06075 |
| Heavy Atoms | 15 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 21267-72-1 |
|---|---|
| SMILES | CC(C#C)N(C1=CC=CC=C1)C(=O)CCl |
| InChIKey | DGPBHERUGBOSFZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丙炔草胺 (CAS 21267-72-1), with molecular formula C12H12ClNO and molecular weight 221.06 g/mol. IUPAC: N-but-3-yn-2-yl-2-chloro-N-phenylacetamide.
Chemical Property Profile of 丙炔草胺
Property Insights of 丙炔草胺
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丙炔草胺. With a topological polar surface area (TPSA) of 20.3 Ų, 丙炔草胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丙炔草胺 has 0 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 丙炔草胺?
The CAS number of 丙炔草胺 is 21267-72-1.
What is the molecular formula of 丙炔草胺?
The molecular formula of 丙炔草胺 is C12H12ClNO.
What is the molecular weight of 丙炔草胺?
The molecular weight of 丙炔草胺 is 221.06 g/mol.
Where can I buy 丙炔草胺?
You can request a quote for 丙炔草胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙炔草胺?
Yes, KEHONG BIO provides custom synthesis services for 丙炔草胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.