Eserine Blue
TL;DR: Eserine Blue (CAS 18455-28-2) is a chemical compound with molecular formula C26H31N5O2 and molecular weight 445.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,9,11,19,21,24-hexamethyl-15-oxa-2,9,11,19,21-pentazaheptacyclo[14.10.0.03,14.05,12.06,10.018,25.020,24]hexacosa-1(16),2,5(12),13,17,25-hexaen-4-one
Also Known As: Eserine Blue, Physostigmine Blue, 4-27-00-09716 (Beilstein Handbook Reference), 4H-Bispyrrolo(3',2':4,5)pyrrolo(3,2-b:2',3'-i)phenoxazin-4-one, 1,2,3,3a,6b,7,8,9,9a,10,14,14a-dodecahydro-1,3a,6b,9,10,14-hexamethyl-, 1,2,3,3a,6b,7,8,9,9a,10,14,14a-Dodecahydro-1,3a,6b,9,10,14-hexamethyl-4H-bispyrrolo[3 ,2 :4,5]pyrrolo[3,2-b:2 ,3 -i]phenoxazin-4-one
| Molecular Formula | C26H31N5O2 |
|---|---|
| Molecular Weight | 445.25 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 445.24777 |
| Heavy Atoms | 33 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 18455-28-2 |
|---|---|
| SMILES | CC12CCN(C1N(C3=CC4=C(C=C23)N=C5C(=CC6=C(C5=O)C7(CCN(C7N6C)C)C)O4)C)C |
| InChIKey | YVVYJQSNBMCZSI-UHFFFAOYSA-N |
Product Overview
Eserine Blue (CAS 18455-28-2), with molecular formula C26H31N5O2 and molecular weight 445.25 g/mol. IUPAC: 6,9,11,19,21,24-hexamethyl-15-oxa-2,9,11,19,21-pentazaheptacyclo[14.10.0.03,14.05,12.06,10.018,25.020,24]hexacosa-1(16),2,5(12),13,17,25-hexaen-4-one.
Chemical Property Profile of Eserine Blue
Property Insights of Eserine Blue
The XLogP value of 3.2 indicates that Eserine Blue is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, Eserine Blue exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Eserine Blue has 0 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 Eserine Blue?
The CAS number of Eserine Blue is 18455-28-2.
What is the molecular formula of Eserine Blue?
The molecular formula of Eserine Blue is C26H31N5O2.
What is the molecular weight of Eserine Blue?
The molecular weight of Eserine Blue is 445.25 g/mol.
Where can I buy Eserine Blue?
You can request a quote for Eserine Blue directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Eserine Blue?
Yes, KEHONG BIO provides custom synthesis services for Eserine Blue and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.