Crebanine
TL;DR: Crebanine (CAS 29730-67-4) 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.
15,16-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaene
Also Known As: Crebanine, Crebanin, L-crebanine, Crebanine [M+H]+, Hexenedioicaciddimethylester
| Molecular Formula | C20H21NO4 |
|---|---|
| Molecular Weight | 339.15 g/mol |
| LogP | 3.2 |
| 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 | 29730-67-4 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C4=C2C1CC5=C4C=CC(=C5OC)OC)OCO3 |
| InChIKey | UVDQDNQWGQFIAO-UHFFFAOYSA-N |
Product Overview
Crebanine (CAS 29730-67-4), with molecular formula C20H21NO4 and molecular weight 339.15 g/mol. IUPAC: 15,16-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaene.
Chemical Property Profile of Crebanine
Property Insights of Crebanine
The XLogP value of 3.2 indicates that Crebanine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.2 Ų, Crebanine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Crebanine 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 Crebanine?
The CAS number of Crebanine is 29730-67-4.
What is the molecular formula of Crebanine?
The molecular formula of Crebanine is C20H21NO4.
What is the molecular weight of Crebanine?
The molecular weight of Crebanine is 339.15 g/mol.
Where can I buy Crebanine?
You can request a quote for Crebanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crebanine?
Yes, KEHONG BIO provides custom synthesis services for Crebanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.