白苞菊醇
TL;DR: 白苞菊醇 (CAS 20110-36-5) is a chemical compound with molecular formula C14H14O2 and molecular weight 214.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
白苞菊醇
(2R,3S)-2-non-1-en-3,5,7-triynyloxan-3-ol
Also Known As: Cunaniol, (2R,3S)-2-[(Z)-non-1-en-3,5,7-triynyl]oxan-3-ol, 2H-Pyran-3-ol, tetrahydro-2-(1-nonene-3,5,7-triynyl)-, (E)-
| Molecular Formula | C14H14O2 |
|---|---|
| Molecular Weight | 214.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.09938 |
| Heavy Atoms | 16 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 20110-36-5 |
|---|---|
| SMILES | CC#CC#CC#CC=C[C@@H]1[C@H](CCCO1)O |
| InChIKey | WFJPISZWZQHNLX-UONOGXRCSA-N |
Product Overview
白苞菊醇 (CAS 20110-36-5), with molecular formula C14H14O2 and molecular weight 214.10 g/mol. IUPAC: (2R,3S)-2-non-1-en-3,5,7-triynyloxan-3-ol.
Chemical Property Profile of 白苞菊醇
Property Insights of 白苞菊醇
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 白苞菊醇. With a topological polar surface area (TPSA) of 29.5 Ų, 白苞菊醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 白苞菊醇 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 白苞菊醇?
The CAS number of 白苞菊醇 is 20110-36-5.
What is the molecular formula of 白苞菊醇?
The molecular formula of 白苞菊醇 is C14H14O2.
What is the molecular weight of 白苞菊醇?
The molecular weight of 白苞菊醇 is 214.10 g/mol.
Where can I buy 白苞菊醇?
You can request a quote for 白苞菊醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 白苞菊醇?
Yes, KEHONG BIO provides custom synthesis services for 白苞菊醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.