Eschscholtzidine
TL;DR: Eschscholtzidine (CAS 6451-67-8) is a chemical compound with molecular formula C20H21NO4 and molecular weight 339.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,12S)-15,16-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.7.1.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene
Also Known As: Eschscholtzidine, O-Mehtylcaryachine, (-)-Eschscholtzidine, (5S)-5,6,11,12-Tetrahydro-8,9-dimethoxy-14-methyl-benzo[5,6]cycloocta[1,2-f]-1,3-benzodioxol-5,11-imine, (1S,12S)-15,16-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.7.1.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene
| Molecular Formula | C20H21NO4 |
|---|---|
| Molecular Weight | 339.15 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 40.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.14706 |
| Heavy Atoms | 25 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 6451-67-8 |
|---|---|
| SMILES | CN1[C@H]2CC3=CC4=C(C=C3[C@@H]1CC5=CC(=C(C=C25)OC)OC)OCO4 |
| InChIKey | YTZIQRTXKBDFKM-HOTGVXAUSA-N |
Product Overview
Eschscholtzidine (CAS 6451-67-8), with molecular formula C20H21NO4 and molecular weight 339.15 g/mol. IUPAC: (1S,12S)-15,16-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.7.1.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene.
Chemical Property Profile of Eschscholtzidine
Property Insights of Eschscholtzidine
The XLogP value of 3.1 indicates that Eschscholtzidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.2 Ų, Eschscholtzidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Eschscholtzidine has 0 hydrogen bond donor(s) and 5 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 Eschscholtzidine?
The CAS number of Eschscholtzidine is 6451-67-8.
What is the molecular formula of Eschscholtzidine?
The molecular formula of Eschscholtzidine is C20H21NO4.
What is the molecular weight of Eschscholtzidine?
The molecular weight of Eschscholtzidine is 339.15 g/mol.
Where can I buy Eschscholtzidine?
You can request a quote for Eschscholtzidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Eschscholtzidine?
Yes, KEHONG BIO provides custom synthesis services for Eschscholtzidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.