二氢香豆素
TL;DR: 二氢香豆素 (CAS 119-84-6) is a chemical compound with molecular formula C9H8O2 and molecular weight 148.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二氢香豆素
3,4-dihydrochromen-2-one
Also Known As: dihydrocoumarin, hydrocoumarin, 3,4-dihydrocoumarin, chroman-2-one, melilotin
| Molecular Formula | C9H8O2 |
|---|---|
| Molecular Weight | 148.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 148.05243 |
| Heavy Atoms | 11 |
| Complexity | 165.0 |
| Melting Point | 25.0 °C |
| Boiling Point | 272.2 °C at 760 mmHg |
| Density | 1.169 at 17.8 °C |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | 130.0 °C |
| Vapor Pressure | 13.4 mmHg at 25.0 °C ; 19.5 mmHg at 42.2 °C; 27.4 mmHg at 62.8 °C |
| Refractive Index | 1.5563 @ 20 °C |
Chemical Identifiers
| CAS Number | 119-84-6 |
|---|---|
| SMILES | C1CC(=O)OC2=CC=CC=C21 |
| InChIKey | VMUXSMXIQBNMGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二氢香豆素 (CAS 119-84-6), with molecular formula C9H8O2 and molecular weight 148.05 g/mol. IUPAC: 3,4-dihydrochromen-2-one.
Chemical Property Profile of 二氢香豆素
Property Insights of 二氢香豆素
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二氢香豆素. With a topological polar surface area (TPSA) of 26.3 Ų, 二氢香豆素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二氢香豆素 has 0 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 二氢香豆素?
The CAS number of 二氢香豆素 is 119-84-6.
What is the molecular formula of 二氢香豆素?
The molecular formula of 二氢香豆素 is C9H8O2.
What is the molecular weight of 二氢香豆素?
The molecular weight of 二氢香豆素 is 148.05 g/mol.
Where can I buy 二氢香豆素?
You can request a quote for 二氢香豆素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二氢香豆素?
Yes, KEHONG BIO provides custom synthesis services for 二氢香豆素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.