咖啡豆醇
TL;DR: 咖啡豆醇 (CAS 6894-43-5) is a chemical compound with molecular formula C20H26O3 and molecular weight 314.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
咖啡豆醇
(1S,4S,12S,13R,16R,17R)-17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6,10-trien-17-ol
Also Known As: Kahweol, Kahweol (Standard), SID:53790728, (3bS,5aS,7R,8R,10aR,10bS)-7-(hydroxymethyl)-10b-methyl-3b,4,5,6,7,8,9,10,10a,10b-decahydro-5a,8-methanocyclohepta[5,6]naphtho[2,1-b]furan-7-ol, B1370-148681
| Molecular Formula | C20H26O3 |
|---|---|
| Molecular Weight | 314.19 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 314.1882 |
| Heavy Atoms | 23 |
| Complexity | 545.0 |
Chemical Identifiers
| CAS Number | 6894-43-5 |
|---|---|
| SMILES | C[C@@]12C=CC3=C([C@H]1CC[C@]45[C@H]2CC[C@H](C4)[C@](C5)(CO)O)C=CO3 |
| InChIKey | JEKMKNDURXDJAD-HWUKTEKMSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
咖啡豆醇 (CAS 6894-43-5), with molecular formula C20H26O3 and molecular weight 314.19 g/mol. IUPAC: (1S,4S,12S,13R,16R,17R)-17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6,10-trien-17-ol.
Chemical Property Profile of 咖啡豆醇
Property Insights of 咖啡豆醇
The XLogP value of 3.4 indicates that 咖啡豆醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.6 Ų, 咖啡豆醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 咖啡豆醇 has 2 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 咖啡豆醇?
The CAS number of 咖啡豆醇 is 6894-43-5.
What is the molecular formula of 咖啡豆醇?
The molecular formula of 咖啡豆醇 is C20H26O3.
What is the molecular weight of 咖啡豆醇?
The molecular weight of 咖啡豆醇 is 314.19 g/mol.
Where can I buy 咖啡豆醇?
You can request a quote for 咖啡豆醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 咖啡豆醇?
Yes, KEHONG BIO provides custom synthesis services for 咖啡豆醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.