2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid hydrate
TL;DR: 2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid hydrate (CAS 328073-86-5) is a chemical compound with molecular formula C12H14N2O3 and molecular weight 234.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid;hydrate
Also Known As: 2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid hydrate, 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid hydrate, 1,2,3,4-tetrahydrobeta-carboline-3-carboxylic acid, oxamethane
| Molecular Formula | C12H14N2O3 |
|---|---|
| Molecular Weight | 234.10 g/mol |
| LogP | 0.4421 |
| Topological Polar Surface Area | 96.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.10045 |
| Heavy Atoms | 17 |
| Complexity | 561.8761 |
Chemical Identifiers
| CAS Number | 328073-86-5 |
|---|---|
| SMILES | C1C(NCC2=C1C3=CC=CC=C3N2)C(=O)O.O |
Product Overview
2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid hydrate (CAS 328073-86-5), with molecular formula C12H14N2O3 and molecular weight 234.10 g/mol. IUPAC: 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid;hydrate.
Chemical Property Profile of 2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid hydrate
Property Insights of 2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid hydrate
The XLogP value of 0.4421 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid hydrate. The TPSA of 96.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid hydrate. Following Lipinski's Rule of Five, 2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid hydrate has 3 hydrogen bond donor(s) and 2 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 2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid hydrate?
The CAS number of 2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid hydrate is 328073-86-5.
What is the molecular formula of 2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid hydrate?
The molecular formula of 2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid hydrate is C12H14N2O3.
What is the molecular weight of 2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid hydrate?
The molecular weight of 2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid hydrate is 234.10 g/mol.
Where can I buy 2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid hydrate?
You can request a quote for 2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid hydrate?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.