Dehydrocrenatine
TL;DR: Dehydrocrenatine (CAS 26585-13-7) is a chemical compound with molecular formula C14H12N2O and molecular weight 224.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethenyl-4-methoxy-9H-pyrido[3,4-b]indole
Also Known As: Dehydrocrenatine, 1-ethenyl-4-methoxy-9H-pyrido[3,4-b]indole, 1-Vinyl-4-methoxy-beta-carboline, starbld0001417, 1-Vinyl-4-methoxy--carboline
| Molecular Formula | C14H12N2O |
|---|---|
| Molecular Weight | 224.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 37.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.09496 |
| Heavy Atoms | 17 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 26585-13-7 |
|---|---|
| SMILES | COC1=CN=C(C2=C1C3=CC=CC=C3N2)C=C |
| InChIKey | HJVIUZHNRJYUTG-UHFFFAOYSA-N |
Product Overview
Dehydrocrenatine (CAS 26585-13-7), with molecular formula C14H12N2O and molecular weight 224.09 g/mol. IUPAC: 1-ethenyl-4-methoxy-9H-pyrido[3,4-b]indole.
Chemical Property Profile of Dehydrocrenatine
Property Insights of Dehydrocrenatine
The XLogP value of 3.1 indicates that Dehydrocrenatine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.9 Ų, Dehydrocrenatine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dehydrocrenatine 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 Dehydrocrenatine?
The CAS number of Dehydrocrenatine is 26585-13-7.
What is the molecular formula of Dehydrocrenatine?
The molecular formula of Dehydrocrenatine is C14H12N2O.
What is the molecular weight of Dehydrocrenatine?
The molecular weight of Dehydrocrenatine is 224.09 g/mol.
Where can I buy Dehydrocrenatine?
You can request a quote for Dehydrocrenatine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dehydrocrenatine?
Yes, KEHONG BIO provides custom synthesis services for Dehydrocrenatine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.