红豆碱
TL;DR: 红豆碱 (CAS 526-31-8) is a chemical compound with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
红豆碱
3-(1H-indol-3-yl)-2-(methylamino)propanoic acid
Also Known As: L-Abrine, Abrine, N-methyltryptophan, Tryptophan, N-methyl-, ABRINE (L)
| Molecular Formula | C12H14N2O2 |
|---|---|
| Molecular Weight | 218.11 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.10553 |
| Heavy Atoms | 16 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 526-31-8 |
|---|---|
| SMILES | CNC(CC1=CNC2=CC=CC=C21)C(=O)O |
| InChIKey | CZCIKBSVHDNIDH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
红豆碱 (CAS 526-31-8), with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol. IUPAC: 3-(1H-indol-3-yl)-2-(methylamino)propanoic acid.
Chemical Property Profile of 红豆碱
Property Insights of 红豆碱
The XLogP value of -0.5 indicates that 红豆碱 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 红豆碱. Following Lipinski's Rule of Five, 红豆碱 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 红豆碱?
The CAS number of 红豆碱 is 526-31-8.
What is the molecular formula of 红豆碱?
The molecular formula of 红豆碱 is C12H14N2O2.
What is the molecular weight of 红豆碱?
The molecular weight of 红豆碱 is 218.11 g/mol.
Where can I buy 红豆碱?
You can request a quote for 红豆碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 红豆碱?
Yes, KEHONG BIO provides custom synthesis services for 红豆碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.