beta-Cembrenediol
TL;DR: beta-Cembrenediol (CAS 57605-81-9) is a chemical compound with molecular formula C20H34O2 and molecular weight 306.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3R,12S)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3-diol
Also Known As: beta-Cembrenediol, .beta.-Cembrenediol
| Molecular Formula | C20H34O2 |
|---|---|
| Molecular Weight | 306.26 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 306.2559 |
| Heavy Atoms | 22 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 57605-81-9 |
|---|---|
| SMILES | CC1=CCCC(=C[C@@H](C[C@@](C=C[C@@H](CC1)C(C)C)(C)O)O)C |
| InChIKey | RIVKDDXPCFBMOV-AABGKKOBSA-N |
Product Overview
beta-Cembrenediol (CAS 57605-81-9), with molecular formula C20H34O2 and molecular weight 306.26 g/mol. IUPAC: (1R,3R,12S)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3-diol.
Chemical Property Profile of beta-Cembrenediol
Property Insights of beta-Cembrenediol
The XLogP value of 4.0 indicates that beta-Cembrenediol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, beta-Cembrenediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Cembrenediol has 2 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 beta-Cembrenediol?
The CAS number of beta-Cembrenediol is 57605-81-9.
What is the molecular formula of beta-Cembrenediol?
The molecular formula of beta-Cembrenediol is C20H34O2.
What is the molecular weight of beta-Cembrenediol?
The molecular weight of beta-Cembrenediol is 306.26 g/mol.
Where can I buy beta-Cembrenediol?
You can request a quote for beta-Cembrenediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Cembrenediol?
Yes, KEHONG BIO provides custom synthesis services for beta-Cembrenediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.