3-(Methoxycarbonyl)amino-beta-carboline
TL;DR: 3-(Methoxycarbonyl)amino-beta-carboline (CAS 91985-74-9) is a chemical compound with molecular formula C13H11N3O2 and molecular weight 241.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(9H-pyrido[3,4-b]indol-3-yl)carbamate
Also Known As: 3-Mcabc, beta-CMC, 3-(Methoxycarbonyl)amino-beta-carboline, 3- amino-beta-carboline, methyl N-(9H-pyrido[3,4-b]indol-3-yl)carbamate
| Molecular Formula | C13H11N3O2 |
|---|---|
| Molecular Weight | 241.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 67.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.08513 |
| Heavy Atoms | 18 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 91985-74-9 |
|---|---|
| SMILES | COC(=O)NC1=NC=C2C(=C1)C3=CC=CC=C3N2 |
| InChIKey | WCNHWQATGLIDEY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Methoxycarbonyl)amino-beta-carboline (CAS 91985-74-9), with molecular formula C13H11N3O2 and molecular weight 241.09 g/mol. IUPAC: methyl N-(9H-pyrido[3,4-b]indol-3-yl)carbamate.
Chemical Property Profile of 3-(Methoxycarbonyl)amino-beta-carboline
Property Insights of 3-(Methoxycarbonyl)amino-beta-carboline
The XLogP value of 3.1 indicates that 3-(Methoxycarbonyl)amino-beta-carboline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Methoxycarbonyl)amino-beta-carboline. Following Lipinski's Rule of Five, 3-(Methoxycarbonyl)amino-beta-carboline 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 3-(Methoxycarbonyl)amino-beta-carboline?
The CAS number of 3-(Methoxycarbonyl)amino-beta-carboline is 91985-74-9.
What is the molecular formula of 3-(Methoxycarbonyl)amino-beta-carboline?
The molecular formula of 3-(Methoxycarbonyl)amino-beta-carboline is C13H11N3O2.
What is the molecular weight of 3-(Methoxycarbonyl)amino-beta-carboline?
The molecular weight of 3-(Methoxycarbonyl)amino-beta-carboline is 241.09 g/mol.
Where can I buy 3-(Methoxycarbonyl)amino-beta-carboline?
You can request a quote for 3-(Methoxycarbonyl)amino-beta-carboline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Methoxycarbonyl)amino-beta-carboline?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methoxycarbonyl)amino-beta-carboline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.