![ethyl (3R)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate structure](/static/products/809/80994-41-8.png)
ethyl (3R)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate
TL;DR: ethyl (3R)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate (CAS 80994-41-8) is a chemical compound with molecular formula C14H16N2O2 and molecular weight 244.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (3R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Also Known As: BAS 00259316, ethyl (3R)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate, ethyl (3R)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate, ethyl (3R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
| Molecular Formula | C14H16N2O2 |
|---|---|
| Molecular Weight | 244.12 g/mol |
| LogP | 1.7453 |
| Topological Polar Surface Area | 54.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.12119 |
| Heavy Atoms | 18 |
| Complexity | 588.4916 |
Chemical Identifiers
| CAS Number | 80994-41-8 |
|---|---|
| SMILES | CCOC(=O)[C@H]1CC2=C(CN1)NC3=CC=CC=C23 |
Product Overview
ethyl (3R)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate (CAS 80994-41-8), with molecular formula C14H16N2O2 and molecular weight 244.12 g/mol. IUPAC: ethyl (3R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate.
Chemical Property Profile of ethyl (3R)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate
Property Insights of ethyl (3R)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate
The XLogP value of 1.7453 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (3R)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate. With a topological polar surface area (TPSA) of 54.12 Ų, ethyl (3R)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (3R)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate 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 (3R)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate?
The CAS number of ethyl (3R)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate is 80994-41-8.
What is the molecular formula of ethyl (3R)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate?
The molecular formula of ethyl (3R)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate is C14H16N2O2.
What is the molecular weight of ethyl (3R)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate?
The molecular weight of ethyl (3R)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate is 244.12 g/mol.
Where can I buy ethyl (3R)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate?
You can request a quote for ethyl (3R)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-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 (3R)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (3R)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.