Ethyl 6-amino-9H-beta-carboline-3-carboxylate
TL;DR: Ethyl 6-amino-9H-beta-carboline-3-carboxylate (CAS 78539-57-8) is a chemical compound with molecular formula C14H13N3O2 and molecular weight 255.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-9H-pyrido[3,4-b]indole-3-carboxylate
Also Known As: Ethyl 6-amino-9H-beta-carboline-3-carboxylate, ethyl 6-amino-9H-pyrido[3,4-b]indole-3-carboxylate, 6-amino-9H-Pyrido[3,4-b]indole-3-carboxylic acid ethyl ester, Ethyl 6-amino-9H-beta-carboline-3-carboxylate #, 6-amino-beta-carbolin-3-carboxylic acid ethyl ester
| Molecular Formula | C14H13N3O2 |
|---|---|
| Molecular Weight | 255.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 81.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.10077 |
| Heavy Atoms | 19 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 78539-57-8 |
|---|---|
| SMILES | CCOC(=O)C1=NC=C2C(=C1)C3=C(N2)C=CC(=C3)N |
| InChIKey | XZFNJRASXSVQBZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 6-amino-9H-beta-carboline-3-carboxylate (CAS 78539-57-8), with molecular formula C14H13N3O2 and molecular weight 255.10 g/mol. IUPAC: ethyl 6-amino-9H-pyrido[3,4-b]indole-3-carboxylate.
Chemical Property Profile of Ethyl 6-amino-9H-beta-carboline-3-carboxylate
Property Insights of Ethyl 6-amino-9H-beta-carboline-3-carboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-amino-9H-beta-carboline-3-carboxylate. The TPSA of 81.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 6-amino-9H-beta-carboline-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 6-amino-9H-beta-carboline-3-carboxylate has 2 hydrogen bond donor(s) and 4 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 Ethyl 6-amino-9H-beta-carboline-3-carboxylate?
The CAS number of Ethyl 6-amino-9H-beta-carboline-3-carboxylate is 78539-57-8.
What is the molecular formula of Ethyl 6-amino-9H-beta-carboline-3-carboxylate?
The molecular formula of Ethyl 6-amino-9H-beta-carboline-3-carboxylate is C14H13N3O2.
What is the molecular weight of Ethyl 6-amino-9H-beta-carboline-3-carboxylate?
The molecular weight of Ethyl 6-amino-9H-beta-carboline-3-carboxylate is 255.10 g/mol.
Where can I buy Ethyl 6-amino-9H-beta-carboline-3-carboxylate?
You can request a quote for Ethyl 6-amino-9H-beta-carboline-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-amino-9H-beta-carboline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-amino-9H-beta-carboline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.