![ethyl 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-acetate structure](/static/products/941/94135-47-4.png)
ethyl 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-acetate
TL;DR: ethyl 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-acetate (CAS 94135-47-4) is a chemical compound with molecular formula C15H18N2O2 and molecular weight 258.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)acetate
Also Known As: EINECS 302-916-9, Ethyl 2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indole-1-acetate, ETHYL 2,3,4,9-TETRAHYDRO-1H-PYRIDO[3,4-B]INDOLE-1-ACETATE, ethyl 2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)acetate, 1-Ethoxycarbonylmethyl-1,2,3,4-tetrahydro-b-carboline
| Molecular Formula | C15H18N2O2 |
|---|---|
| Molecular Weight | 258.14 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 54.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.13684 |
| Heavy Atoms | 19 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 94135-47-4 |
|---|---|
| SMILES | CCOC(=O)CC1C2=C(CCN1)C3=CC=CC=C3N2 |
| InChIKey | YXFXKGBICGUOJR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ethyl 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-acetate (CAS 94135-47-4), with molecular formula C15H18N2O2 and molecular weight 258.14 g/mol. IUPAC: ethyl 2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)acetate.
Chemical Property Profile of ethyl 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-acetate
Property Insights of ethyl 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-acetate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-acetate. With a topological polar surface area (TPSA) of 54.1 Ų, ethyl 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-acetate has 2 hydrogen bond donor(s) and 3 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 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-acetate?
The CAS number of ethyl 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-acetate is 94135-47-4.
What is the molecular formula of ethyl 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-acetate?
The molecular formula of ethyl 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-acetate is C15H18N2O2.
What is the molecular weight of ethyl 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-acetate?
The molecular weight of ethyl 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-acetate is 258.14 g/mol.
Where can I buy ethyl 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-acetate?
You can request a quote for ethyl 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.