7,8-Dehydrorutaecarpine
TL;DR: 7,8-Dehydrorutaecarpine (CAS 55788-15-3) is a chemical compound with molecular formula C18H11N3O and molecular weight 285.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,15,17,19-nonaen-14-one
Also Known As: 7,8-Dehydrorutaecarpine, 7,8-Dehydrorutecarpine, methyl 3-benzazonine-3-carboxylate, 3-ethyl-7-methylnona-2,6-dienoic acid, Indolo(2',3':3,4)pyrido(2,1-b)quinazolin-5(13H)-one
| Molecular Formula | C18H11N3O |
|---|---|
| Molecular Weight | 285.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 48.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 285.0902 |
| Heavy Atoms | 22 |
| Complexity | 555.0 |
Chemical Identifiers
| CAS Number | 55788-15-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(N2)C4=NC5=CC=CC=C5C(=O)N4C=C3 |
| InChIKey | KLONOPPMRIDVGM-UHFFFAOYSA-N |
Product Overview
7,8-Dehydrorutaecarpine (CAS 55788-15-3), with molecular formula C18H11N3O and molecular weight 285.09 g/mol. IUPAC: 3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,15,17,19-nonaen-14-one.
Chemical Property Profile of 7,8-Dehydrorutaecarpine
Property Insights of 7,8-Dehydrorutaecarpine
The XLogP value of 3.1 indicates that 7,8-Dehydrorutaecarpine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.5 Ų, 7,8-Dehydrorutaecarpine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7,8-Dehydrorutaecarpine has 1 hydrogen bond donor(s) and 2 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 7,8-Dehydrorutaecarpine?
The CAS number of 7,8-Dehydrorutaecarpine is 55788-15-3.
What is the molecular formula of 7,8-Dehydrorutaecarpine?
The molecular formula of 7,8-Dehydrorutaecarpine is C18H11N3O.
What is the molecular weight of 7,8-Dehydrorutaecarpine?
The molecular weight of 7,8-Dehydrorutaecarpine is 285.09 g/mol.
Where can I buy 7,8-Dehydrorutaecarpine?
You can request a quote for 7,8-Dehydrorutaecarpine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,8-Dehydrorutaecarpine?
Yes, KEHONG BIO provides custom synthesis services for 7,8-Dehydrorutaecarpine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.