1,2,3,4-Tetrahydro-8-carboxy-2,2-dimethyl-5H-pyrido(4,3-b)indolium iodide ethylester
TL;DR: 1,2,3,4-Tetrahydro-8-carboxy-2,2-dimethyl-5H-pyrido(4,3-b)indolium iodide ethylester (CAS 5336-96-9) is a chemical compound with molecular formula C16H21IN2O2 and molecular weight 400.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,2-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ium-8-carboxylate iodide
Also Known As: 1,2,3,4-Tetrahydro-8-carboxy-2,2-dimethyl-5H-pyrido(4,3-b)indolium iodide ethylester, 5H-Pyrido(4,3-b)indolium, 1,2,3,4-tetrahydro-8-carboxy-2,2-dimethyl-, iodide, ethyl ester, 8-(ethoxycarbonyl)-2,2-dimethyl-2,3,4,5-tetrahydro-1h-pyrido[4,3-b]indol-2-ium iodide, ethyl 2,2-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ium-8-carboxylate iodide, ethyl 2,2-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ium-8-carboxylate,iodide
| Molecular Formula | C16H21IN2O2 |
|---|---|
| Molecular Weight | 400.06 g/mol |
| LogP | -0.5189 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.0648 |
| Heavy Atoms | 21 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 5336-96-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(C=C1)NC3=C2C[N+](CC3)(C)C.[I-] |
| InChIKey | BVHNWEITFHGDRD-UHFFFAOYSA-N |
Product Overview
1,2,3,4-Tetrahydro-8-carboxy-2,2-dimethyl-5H-pyrido(4,3-b)indolium iodide ethylester (CAS 5336-96-9), with molecular formula C16H21IN2O2 and molecular weight 400.06 g/mol. IUPAC: ethyl 2,2-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ium-8-carboxylate iodide.
Chemical Property Profile of 1,2,3,4-Tetrahydro-8-carboxy-2,2-dimethyl-5H-pyrido(4,3-b)indolium iodide ethylester
Property Insights of 1,2,3,4-Tetrahydro-8-carboxy-2,2-dimethyl-5H-pyrido(4,3-b)indolium iodide ethylester
The XLogP value of -0.5189 indicates that 1,2,3,4-Tetrahydro-8-carboxy-2,2-dimethyl-5H-pyrido(4,3-b)indolium iodide ethylester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 42.1 Ų, 1,2,3,4-Tetrahydro-8-carboxy-2,2-dimethyl-5H-pyrido(4,3-b)indolium iodide ethylester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4-Tetrahydro-8-carboxy-2,2-dimethyl-5H-pyrido(4,3-b)indolium iodide ethylester has 1 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 1,2,3,4-Tetrahydro-8-carboxy-2,2-dimethyl-5H-pyrido(4,3-b)indolium iodide ethylester?
The CAS number of 1,2,3,4-Tetrahydro-8-carboxy-2,2-dimethyl-5H-pyrido(4,3-b)indolium iodide ethylester is 5336-96-9.
What is the molecular formula of 1,2,3,4-Tetrahydro-8-carboxy-2,2-dimethyl-5H-pyrido(4,3-b)indolium iodide ethylester?
The molecular formula of 1,2,3,4-Tetrahydro-8-carboxy-2,2-dimethyl-5H-pyrido(4,3-b)indolium iodide ethylester is C16H21IN2O2.
What is the molecular weight of 1,2,3,4-Tetrahydro-8-carboxy-2,2-dimethyl-5H-pyrido(4,3-b)indolium iodide ethylester?
The molecular weight of 1,2,3,4-Tetrahydro-8-carboxy-2,2-dimethyl-5H-pyrido(4,3-b)indolium iodide ethylester is 400.06 g/mol.
Where can I buy 1,2,3,4-Tetrahydro-8-carboxy-2,2-dimethyl-5H-pyrido(4,3-b)indolium iodide ethylester?
You can request a quote for 1,2,3,4-Tetrahydro-8-carboxy-2,2-dimethyl-5H-pyrido(4,3-b)indolium iodide ethylester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4-Tetrahydro-8-carboxy-2,2-dimethyl-5H-pyrido(4,3-b)indolium iodide ethylester?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4-Tetrahydro-8-carboxy-2,2-dimethyl-5H-pyrido(4,3-b)indolium iodide ethylester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.