Deoxyarteannuin B
TL;DR: Deoxyarteannuin B (CAS 128301-55-3) is a chemical compound with molecular formula C15H20O2 and molecular weight 232.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aS,6R,6aS,10aS)-6,9-dimethyl-3-methylidene-4,5,6,6a,7,8-hexahydro-3aH-benzo[h][1]benzofuran-2-one
Also Known As: Deoxyarteannuin B, arteannuin B, deoxy, J1.815.386F, (3aS,6R,6aS,10aS)-6,9-dimethyl-3-methylidene-4,5,6,6a,7,8-hexahydro-3aH-benzo[h][1]benzofuran-2-one, 6,9-Dimethyl-3-methylene-3,3a,4,5,6,6a,7,8-octahydro-1-oxa-cyclopenta[d]naphthalen-2-one
| Molecular Formula | C15H20O2 |
|---|---|
| Molecular Weight | 232.15 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 232.14633 |
| Heavy Atoms | 17 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 128301-55-3 |
|---|---|
| SMILES | C[C@@H]1CC[C@H]2C(=C)C(=O)O[C@]23[C@H]1CCC(=C3)C |
| InChIKey | FRCNDCUEKFCJQI-GVUJHPQVSA-N |
Product Overview
Deoxyarteannuin B (CAS 128301-55-3), with molecular formula C15H20O2 and molecular weight 232.15 g/mol. IUPAC: (3aS,6R,6aS,10aS)-6,9-dimethyl-3-methylidene-4,5,6,6a,7,8-hexahydro-3aH-benzo[h][1]benzofuran-2-one.
Chemical Property Profile of Deoxyarteannuin B
Property Insights of Deoxyarteannuin B
The XLogP value of 3.1 indicates that Deoxyarteannuin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Deoxyarteannuin B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Deoxyarteannuin B has 0 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 Deoxyarteannuin B?
The CAS number of Deoxyarteannuin B is 128301-55-3.
What is the molecular formula of Deoxyarteannuin B?
The molecular formula of Deoxyarteannuin B is C15H20O2.
What is the molecular weight of Deoxyarteannuin B?
The molecular weight of Deoxyarteannuin B is 232.15 g/mol.
Where can I buy Deoxyarteannuin B?
You can request a quote for Deoxyarteannuin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deoxyarteannuin B?
Yes, KEHONG BIO provides custom synthesis services for Deoxyarteannuin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.