茵陈二炔酮
TL;DR: 茵陈二炔酮 (CAS 495-74-9) is a chemical compound with molecular formula C12H8O and molecular weight 168.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
茵陈二炔酮
1-phenylhexa-2,4-diyn-1-one
Also Known As: Capillin, 1-phenylhexa-2,4-diyn-1-one, 2,4-HEXADIYNOPHENONE, 1-Phenyl-2,4-hexadiyn-1-one, 2,4-Hexadiyn-1-one, 1-phenyl-
| Molecular Formula | C12H8O |
|---|---|
| Molecular Weight | 168.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.05751 |
| Heavy Atoms | 13 |
| Complexity | 306.0 |
| Melting Point | 82 - 83 °C |
Chemical Identifiers
| CAS Number | 495-74-9 |
|---|---|
| SMILES | CC#CC#CC(=O)C1=CC=CC=C1 |
| InChIKey | RAZOKRUZEQERLH-UHFFFAOYSA-N |
Product Overview
茵陈二炔酮 (CAS 495-74-9), with molecular formula C12H8O and molecular weight 168.06 g/mol. IUPAC: 1-phenylhexa-2,4-diyn-1-one.
Chemical Property Profile of 茵陈二炔酮
Property Insights of 茵陈二炔酮
The XLogP value of 3.0 indicates that 茵陈二炔酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 茵陈二炔酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 茵陈二炔酮 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 茵陈二炔酮?
The CAS number of 茵陈二炔酮 is 495-74-9.
What is the molecular formula of 茵陈二炔酮?
The molecular formula of 茵陈二炔酮 is C12H8O.
What is the molecular weight of 茵陈二炔酮?
The molecular weight of 茵陈二炔酮 is 168.06 g/mol.
Where can I buy 茵陈二炔酮?
You can request a quote for 茵陈二炔酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 茵陈二炔酮?
Yes, KEHONG BIO provides custom synthesis services for 茵陈二炔酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.