Synthetic amber
TL;DR: Synthetic amber (CAS 80040-98-8) is a chemical compound with molecular formula C17H28O2 and molecular weight 264.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-yn-1-ol;1-(2,6,6-trimethylcyclohex-2-en-1-yl)pentan-3-one
Also Known As: Synthetic amber, SYNTHETIC CAMPHOR, 3-Pentanone, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, reaction products with 2-propyn-1-ol, 1-(2,6,6-trimethylcyclohex-2-en-1-yl)pentan-3-one- prop-2-yn-1-ol(1:1), prop-2-yn-1-ol;1-(2,6,6-trimethylcyclohex-2-en-1-yl)pentan-3-one
| Molecular Formula | C17H28O2 |
|---|---|
| Molecular Weight | 264.21 g/mol |
| LogP | 3.7401 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.20892 |
| Heavy Atoms | 19 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 80040-98-8 |
|---|---|
| SMILES | CCC(=O)CCC1C(=CCCC1(C)C)C.C#CCO |
| InChIKey | BKHCAESJENSNLE-UHFFFAOYSA-N |
Product Overview
Synthetic amber (CAS 80040-98-8), with molecular formula C17H28O2 and molecular weight 264.21 g/mol. IUPAC: prop-2-yn-1-ol;1-(2,6,6-trimethylcyclohex-2-en-1-yl)pentan-3-one.
Chemical Property Profile of Synthetic amber
Property Insights of Synthetic amber
The XLogP value of 3.7401 indicates that Synthetic amber is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Synthetic amber exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Synthetic amber 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 Synthetic amber?
The CAS number of Synthetic amber is 80040-98-8.
What is the molecular formula of Synthetic amber?
The molecular formula of Synthetic amber is C17H28O2.
What is the molecular weight of Synthetic amber?
The molecular weight of Synthetic amber is 264.21 g/mol.
Where can I buy Synthetic amber?
You can request a quote for Synthetic amber directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Synthetic amber?
Yes, KEHONG BIO provides custom synthesis services for Synthetic amber and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.