Dehydrocrebanine
TL;DR: Dehydrocrebanine (CAS 77784-22-6) is a chemical compound with molecular formula C20H19NO4 and molecular weight 337.13 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(19),2(6),7,12(20),13,15,17-heptaene
Also Known As: Dehydrocrebanine, HY-N3709, 4CN-1471, 5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline, 6,7-dihydro-9,10-dime thoxy-7-methyl-, 6,7-Dihydro-9,10-dimethoxy-7-methyl-5H-benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline
| Molecular Formula | C20H19NO4 |
|---|---|
| Molecular Weight | 337.13 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 40.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 337.1314 |
| Heavy Atoms | 25 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 77784-22-6 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C4=C5C=CC(=C(C5=CC1=C24)OC)OC)OCO3 |
| InChIKey | HCKFFNXOLCSPAI-UHFFFAOYSA-N |
Product Overview
Dehydrocrebanine (CAS 77784-22-6), with molecular formula C20H19NO4 and molecular weight 337.13 g/mol. IUPAC: 15,16-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(19),2(6),7,12(20),13,15,17-heptaene.
Chemical Property Profile of Dehydrocrebanine
Property Insights of Dehydrocrebanine
The XLogP value of 4.3 indicates that Dehydrocrebanine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.2 Ų, Dehydrocrebanine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dehydrocrebanine 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 Dehydrocrebanine?
The CAS number of Dehydrocrebanine is 77784-22-6.
What is the molecular formula of Dehydrocrebanine?
The molecular formula of Dehydrocrebanine is C20H19NO4.
What is the molecular weight of Dehydrocrebanine?
The molecular weight of Dehydrocrebanine is 337.13 g/mol.
Where can I buy Dehydrocrebanine?
You can request a quote for Dehydrocrebanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dehydrocrebanine?
Yes, KEHONG BIO provides custom synthesis services for Dehydrocrebanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.