Speciosine
TL;DR: Speciosine (CAS 16892-03-8) is a chemical compound with molecular formula C28H31NO6 and molecular weight 477.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
Also Known As: Speciosine, Speciozine, Speciosin, Speciozin, Speciosine (6CI,8CI)
| Molecular Formula | C28H31NO6 |
|---|---|
| Molecular Weight | 477.22 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 77.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 477.21515 |
| Heavy Atoms | 35 |
| Complexity | 850.0 |
Chemical Identifiers
| CAS Number | 16892-03-8 |
|---|---|
| SMILES | CN(CC1=CC=CC=C1O)C2CCC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)OC)OC)OC)OC |
| InChIKey | SOFSXTKPGSIDCI-UHFFFAOYSA-N |
Product Overview
Speciosine (CAS 16892-03-8), with molecular formula C28H31NO6 and molecular weight 477.22 g/mol. IUPAC: 7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one.
Chemical Property Profile of Speciosine
Property Insights of Speciosine
The XLogP value of 3.0 indicates that Speciosine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Speciosine. Following Lipinski's Rule of Five, Speciosine has 1 hydrogen bond donor(s) and 7 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 Speciosine?
The CAS number of Speciosine is 16892-03-8.
What is the molecular formula of Speciosine?
The molecular formula of Speciosine is C28H31NO6.
What is the molecular weight of Speciosine?
The molecular weight of Speciosine is 477.22 g/mol.
Where can I buy Speciosine?
You can request a quote for Speciosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Speciosine?
Yes, KEHONG BIO provides custom synthesis services for Speciosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.