双氢麦角考宁
TL;DR: 双氢麦角考宁 (CAS 25447-65-8) is a chemical compound with molecular formula C8H12O3 and molecular weight 156.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
双氢麦角考宁
3,4-dihydro-2H-pyran-2-ylmethyl acetate
Also Known As: 3,4-dihydro-2h-pyran-2-ylmethyl acetate, UVVZLQHUDLXMGT-UHFFFAOYSA-, 2H-Pyran-2-methanol,3,4-dihydro-, 2-acetate, 2-acetoxymethyl-3,4-dihydro-2h-pyran, (3,4-dihydro-2H-pyran-2-yl)methyl acetate
| Molecular Formula | C8H12O3 |
|---|---|
| Molecular Weight | 156.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 156.07864 |
| Heavy Atoms | 11 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 25447-65-8 |
|---|---|
| SMILES | CC(=O)OCC1CCC=CO1 |
| InChIKey | UVVZLQHUDLXMGT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
双氢麦角考宁 (CAS 25447-65-8), with molecular formula C8H12O3 and molecular weight 156.08 g/mol. IUPAC: 3,4-dihydro-2H-pyran-2-ylmethyl acetate.
Chemical Property Profile of 双氢麦角考宁
Property Insights of 双氢麦角考宁
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 双氢麦角考宁. With a topological polar surface area (TPSA) of 35.5 Ų, 双氢麦角考宁 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 双氢麦角考宁 has 0 hydrogen bond donor(s) and 3 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 双氢麦角考宁?
The CAS number of 双氢麦角考宁 is 25447-65-8.
What is the molecular formula of 双氢麦角考宁?
The molecular formula of 双氢麦角考宁 is C8H12O3.
What is the molecular weight of 双氢麦角考宁?
The molecular weight of 双氢麦角考宁 is 156.08 g/mol.
Where can I buy 双氢麦角考宁?
You can request a quote for 双氢麦角考宁 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 双氢麦角考宁?
Yes, KEHONG BIO provides custom synthesis services for 双氢麦角考宁 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.