Isoapo-beta-erythroidine
TL;DR: Isoapo-beta-erythroidine (CAS 2581-07-9) is a chemical compound with molecular formula C15H15NO2 and molecular weight 241.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-oxa-10-azatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,13(17),14-tetraen-4-one
Also Known As: ISOAPO-beta-ERYTHROIDINE, ISOAPO-.BETA.-ERYTHROIDINE, ISOAPO-.BETA.-ERYTHROIDINE [MI], 4-27-00-02889 (Beilstein Handbook Reference), 11H-Pyrano(3,4-d)pyrrolo(3,2,1-jk)(1)benzazepin-11-one, 4,5,7,8,8a,9-hexahydro-
| Molecular Formula | C15H15NO2 |
|---|---|
| Molecular Weight | 241.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 241.11028 |
| Heavy Atoms | 18 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 2581-07-9 |
|---|---|
| SMILES | C1CN2CCC3=C2C(=CC=C3)C4=CC(=O)OCC41 |
| InChIKey | NFHDHFOAEACPDR-UHFFFAOYSA-N |
Product Overview
Isoapo-beta-erythroidine (CAS 2581-07-9), with molecular formula C15H15NO2 and molecular weight 241.11 g/mol. IUPAC: 5-oxa-10-azatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,13(17),14-tetraen-4-one.
Chemical Property Profile of Isoapo-beta-erythroidine
Property Insights of Isoapo-beta-erythroidine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoapo-beta-erythroidine. With a topological polar surface area (TPSA) of 29.5 Ų, Isoapo-beta-erythroidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoapo-beta-erythroidine has 0 hydrogen bond donor(s) and 3 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 Isoapo-beta-erythroidine?
The CAS number of Isoapo-beta-erythroidine is 2581-07-9.
What is the molecular formula of Isoapo-beta-erythroidine?
The molecular formula of Isoapo-beta-erythroidine is C15H15NO2.
What is the molecular weight of Isoapo-beta-erythroidine?
The molecular weight of Isoapo-beta-erythroidine is 241.11 g/mol.
Where can I buy Isoapo-beta-erythroidine?
You can request a quote for Isoapo-beta-erythroidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoapo-beta-erythroidine?
Yes, KEHONG BIO provides custom synthesis services for Isoapo-beta-erythroidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.