3beta-Angeloyloxy-9-en-8-epi-eremophilenolide
TL;DR: 3beta-Angeloyloxy-9-en-8-epi-eremophilenolide (CAS 74799-14-7) is a chemical compound with molecular formula C20H26O4 and molecular weight 330.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4aR,5R,6S,9aR)-3,4a,5-trimethyl-2-oxo-4,5,6,7,8,9a-hexahydrobenzo[f][1]benzofuran-6-yl] (Z)-2-methylbut-2-enoate
Also Known As: 4'-Methylnicotine, 3beta-Angeloyloxy-9-en-8-epi-eremophilenolide, 2-Butenoic acid, 2-methyl-, 2,4,4a,5,6,7,8,9a-octahydro-3,4a,5-trimethyl-2-oxonaphtho(2,3-b)furan-6-yl ester, (4aR-(4aalpha,5alpha,6alpha,6(Z),9abeta))-, [(4aR,5R,6S,9aR)-3,4a,5-trimethyl-2-oxo-4,5,6,7,8,9a-hexahydrobenzo[f][1]benzofuran-6-yl] (Z)-2-methylbut-2-enoate
| Molecular Formula | C20H26O4 |
|---|---|
| Molecular Weight | 330.18 g/mol |
| LogP | 3.8726 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.1831 |
| Heavy Atoms | 24 |
| Complexity | 681.75244 |
Chemical Identifiers
| CAS Number | 74799-14-7 |
|---|---|
| SMILES | C/C=C(/C)\C(=O)O[C@H]1CCC2=C[C@@H]3C(=C(C(=O)O3)C)C[C@@]2([C@H]1C)C |
Product Overview
3beta-Angeloyloxy-9-en-8-epi-eremophilenolide (CAS 74799-14-7), with molecular formula C20H26O4 and molecular weight 330.18 g/mol. IUPAC: [(4aR,5R,6S,9aR)-3,4a,5-trimethyl-2-oxo-4,5,6,7,8,9a-hexahydrobenzo[f][1]benzofuran-6-yl] (Z)-2-methylbut-2-enoate.
Chemical Property Profile of 3beta-Angeloyloxy-9-en-8-epi-eremophilenolide
Property Insights of 3beta-Angeloyloxy-9-en-8-epi-eremophilenolide
The XLogP value of 3.8726 indicates that 3beta-Angeloyloxy-9-en-8-epi-eremophilenolide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 3beta-Angeloyloxy-9-en-8-epi-eremophilenolide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3beta-Angeloyloxy-9-en-8-epi-eremophilenolide has 0 hydrogen bond donor(s) and 4 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 3beta-Angeloyloxy-9-en-8-epi-eremophilenolide?
The CAS number of 3beta-Angeloyloxy-9-en-8-epi-eremophilenolide is 74799-14-7.
What is the molecular formula of 3beta-Angeloyloxy-9-en-8-epi-eremophilenolide?
The molecular formula of 3beta-Angeloyloxy-9-en-8-epi-eremophilenolide is C20H26O4.
What is the molecular weight of 3beta-Angeloyloxy-9-en-8-epi-eremophilenolide?
The molecular weight of 3beta-Angeloyloxy-9-en-8-epi-eremophilenolide is 330.18 g/mol.
Where can I buy 3beta-Angeloyloxy-9-en-8-epi-eremophilenolide?
You can request a quote for 3beta-Angeloyloxy-9-en-8-epi-eremophilenolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3beta-Angeloyloxy-9-en-8-epi-eremophilenolide?
Yes, KEHONG BIO provides custom synthesis services for 3beta-Angeloyloxy-9-en-8-epi-eremophilenolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.