Carbonylmethyltetrahydro-beta-carboline
TL;DR: Carbonylmethyltetrahydro-beta-carboline (CAS 75847-64-2) is a chemical compound with molecular formula C16H21ClN2O2 and molecular weight 308.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)acetate;hydrochloride
Also Known As: Carbonylmethyltetrahydro-beta-carboline, 1-Ethoxycarbonylmethyl-1-methyl-1,2,3,4-tetrahydro-beta-carbolin-2-ium chloride, ethyl 2-(1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)acetate;hydrochloride, 1H-Pyrido(3,4-b)indole-1-acetic acid, 2,3,4,9-tetrahydro-1-methyl-, ethyl ester, monohydrochloride, (+-)-, ethyl 2-(1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)acetate hydrochloride
| Molecular Formula | C16H21ClN2O2 |
|---|---|
| Molecular Weight | 308.13 g/mol |
| LogP | 2.9038 |
| Topological Polar Surface Area | 54.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.12915 |
| Heavy Atoms | 21 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 75847-64-2 |
|---|---|
| SMILES | CCOC(=O)CC1(C2=C(CCN1)C3=CC=CC=C3N2)C.Cl |
| InChIKey | KVNLXQLSHPQBGK-UHFFFAOYSA-N |
Product Overview
Carbonylmethyltetrahydro-beta-carboline (CAS 75847-64-2), with molecular formula C16H21ClN2O2 and molecular weight 308.13 g/mol. IUPAC: ethyl 2-(1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)acetate;hydrochloride.
Chemical Property Profile of Carbonylmethyltetrahydro-beta-carboline
Property Insights of Carbonylmethyltetrahydro-beta-carboline
The XLogP value of 2.9038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbonylmethyltetrahydro-beta-carboline. With a topological polar surface area (TPSA) of 54.1 Ų, Carbonylmethyltetrahydro-beta-carboline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbonylmethyltetrahydro-beta-carboline has 3 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 Carbonylmethyltetrahydro-beta-carboline?
The CAS number of Carbonylmethyltetrahydro-beta-carboline is 75847-64-2.
What is the molecular formula of Carbonylmethyltetrahydro-beta-carboline?
The molecular formula of Carbonylmethyltetrahydro-beta-carboline is C16H21ClN2O2.
What is the molecular weight of Carbonylmethyltetrahydro-beta-carboline?
The molecular weight of Carbonylmethyltetrahydro-beta-carboline is 308.13 g/mol.
Where can I buy Carbonylmethyltetrahydro-beta-carboline?
You can request a quote for Carbonylmethyltetrahydro-beta-carboline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonylmethyltetrahydro-beta-carboline?
Yes, KEHONG BIO provides custom synthesis services for Carbonylmethyltetrahydro-beta-carboline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.