Neodactyloquinone
TL;DR: Neodactyloquinone (CAS 487016-14-8) is a chemical compound with molecular formula C22H28O4 and molecular weight 356.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aS,6aS,12aS,12bR)-9-methoxy-4a,6a,12a-trimethyl-4-methylidene-2,3,5,6,7,12b-hexahydro-1H-naphtho[1,2-b]chromene-8,11-dione
Also Known As: Neodactyloquinone, J1.863.663H, (4aS,6aS,12aS,12bR)-9-methoxy-4a,6a,12a-trimethyl-4-methylidene-2,3,5,6,7,12b-hexahydro-1H-naphtho[1,2-b]chromene-8,11-dione, (4aS)-2,3,4,4a,5,6,6a,7,12a,12bbeta-Decahydro-4-methylene-4aalpha,6aalpha,12aalpha-trimethyl-9-methoxy-1H-benzo[c]xanthene-8,11-dione, (4aS,6aS,12aS,12bR)-9-methoxy-4a,6a,12a-trimethyl-4-methylidene-2,3,5,6,7,12b-hexahydro-1H-naphtho(1,2-b)chromene-8,11-dione
| Molecular Formula | C22H28O4 |
|---|---|
| Molecular Weight | 356.20 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 356.19876 |
| Heavy Atoms | 26 |
| Complexity | 788.0 |
Chemical Identifiers
| CAS Number | 487016-14-8 |
|---|---|
| SMILES | C[C@@]12CC[C@]3([C@H]([C@@]1(OC4=C(C2)C(=O)C(=CC4=O)OC)C)CCCC3=C)C |
| InChIKey | FDSDIYQHKYXSBM-YCZSINBZSA-N |
Product Overview
Neodactyloquinone (CAS 487016-14-8), with molecular formula C22H28O4 and molecular weight 356.20 g/mol. IUPAC: (4aS,6aS,12aS,12bR)-9-methoxy-4a,6a,12a-trimethyl-4-methylidene-2,3,5,6,7,12b-hexahydro-1H-naphtho[1,2-b]chromene-8,11-dione.
Chemical Property Profile of Neodactyloquinone
Property Insights of Neodactyloquinone
The XLogP value of 4.3 indicates that Neodactyloquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Neodactyloquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Neodactyloquinone 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 Neodactyloquinone?
The CAS number of Neodactyloquinone is 487016-14-8.
What is the molecular formula of Neodactyloquinone?
The molecular formula of Neodactyloquinone is C22H28O4.
What is the molecular weight of Neodactyloquinone?
The molecular weight of Neodactyloquinone is 356.20 g/mol.
Where can I buy Neodactyloquinone?
You can request a quote for Neodactyloquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neodactyloquinone?
Yes, KEHONG BIO provides custom synthesis services for Neodactyloquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.