环甲基色氨酸
TL;DR: 环甲基色氨酸 (CAS 42438-90-4) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
环甲基色氨酸
(3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Also Known As: CYCLOMETHYLTRYPTOPHAN, tnca, L-Tpi-OH, L-1,2,3,4-Tetrahydronorharman-3-carboxylic acid, Lycoperodine 1
| Molecular Formula | C12H12N2O2 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.08987 |
| Heavy Atoms | 16 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 42438-90-4 |
|---|---|
| SMILES | C1[C@H](NCC2=C1C3=CC=CC=C3N2)C(=O)O |
| InChIKey | FSNCEEGOMTYXKY-JTQLQIEISA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
环甲基色氨酸 (CAS 42438-90-4), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: (3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid.
Chemical Property Profile of 环甲基色氨酸
Property Insights of 环甲基色氨酸
The XLogP value of -1.2 indicates that 环甲基色氨酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 环甲基色氨酸. Following Lipinski's Rule of Five, 环甲基色氨酸 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 环甲基色氨酸?
The CAS number of 环甲基色氨酸 is 42438-90-4.
What is the molecular formula of 环甲基色氨酸?
The molecular formula of 环甲基色氨酸 is C12H12N2O2.
What is the molecular weight of 环甲基色氨酸?
The molecular weight of 环甲基色氨酸 is 216.09 g/mol.
Where can I buy 环甲基色氨酸?
You can request a quote for 环甲基色氨酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 环甲基色氨酸?
Yes, KEHONG BIO provides custom synthesis services for 环甲基色氨酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.