Deoxysericealactone
TL;DR: Deoxysericealactone (CAS 19892-19-4) is a chemical compound with molecular formula C16H20O4 and molecular weight 276.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(6-ethenyl-3,6-dimethyl-2-oxo-4,5,7,7a-tetrahydro-1-benzofuran-5-yl)prop-2-enoate
Also Known As: Deoxysericealactone, Sericealactone, deoxy-, methyl 2-(6-ethenyl-3,6-dimethyl-2-oxo-4,5,7,7a-tetrahydro-1-benzofuran-5-yl)prop-2-enoate, 2,4,5,6,7,7a-Hexahydro-3,6-dimethyl-alpha-methylene-2-oxo-6-vinyl-5-benzofuranacetic acid methyl ester, 5-Benzofuranacetic acid, 2,4,5,6,7,7a-hexahydro-3,6-dimethyl-.alpha.-methylene-2-oxo-6-vinyl-, methyl ester
| Molecular Formula | C16H20O4 |
|---|---|
| Molecular Weight | 276.14 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.13617 |
| Heavy Atoms | 20 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 19892-19-4 |
|---|---|
| SMILES | CC1=C2CC(C(CC2OC1=O)(C)C=C)C(=C)C(=O)OC |
| InChIKey | ODNZGWQSPYLHGS-UHFFFAOYSA-N |
Product Overview
Deoxysericealactone (CAS 19892-19-4), with molecular formula C16H20O4 and molecular weight 276.14 g/mol. IUPAC: methyl 2-(6-ethenyl-3,6-dimethyl-2-oxo-4,5,7,7a-tetrahydro-1-benzofuran-5-yl)prop-2-enoate.
Chemical Property Profile of Deoxysericealactone
Property Insights of Deoxysericealactone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Deoxysericealactone. With a topological polar surface area (TPSA) of 52.6 Ų, Deoxysericealactone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Deoxysericealactone 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 Deoxysericealactone?
The CAS number of Deoxysericealactone is 19892-19-4.
What is the molecular formula of Deoxysericealactone?
The molecular formula of Deoxysericealactone is C16H20O4.
What is the molecular weight of Deoxysericealactone?
The molecular weight of Deoxysericealactone is 276.14 g/mol.
Where can I buy Deoxysericealactone?
You can request a quote for Deoxysericealactone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deoxysericealactone?
Yes, KEHONG BIO provides custom synthesis services for Deoxysericealactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.