ChemDiv1_012723
TL;DR: ChemDiv1_012723 (CAS 84015-55-4) is a chemical compound with molecular formula C20H20N2O4 and molecular weight 352.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Also Known As: ChemDiv1_012723, 4-(hydroxymethyl)benzenediazonium, KST-1B8848, BAS 00319151, 1-(3,4-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
| Molecular Formula | C20H20N2O4 |
|---|---|
| Molecular Weight | 352.14 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.1423 |
| Heavy Atoms | 26 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 84015-55-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C3=C(CC(N2)C(=O)O)C4=CC=CC=C4N3)OC |
| InChIKey | JLKKXFLIQLNLAN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ChemDiv1_012723 (CAS 84015-55-4), with molecular formula C20H20N2O4 and molecular weight 352.14 g/mol. IUPAC: 1-(3,4-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid.
Chemical Property Profile of ChemDiv1_012723
Property Insights of ChemDiv1_012723
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_012723. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_012723. Following Lipinski's Rule of Five, ChemDiv1_012723 has 3 hydrogen bond donor(s) and 5 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 ChemDiv1_012723?
The CAS number of ChemDiv1_012723 is 84015-55-4.
What is the molecular formula of ChemDiv1_012723?
The molecular formula of ChemDiv1_012723 is C20H20N2O4.
What is the molecular weight of ChemDiv1_012723?
The molecular weight of ChemDiv1_012723 is 352.14 g/mol.
Where can I buy ChemDiv1_012723?
You can request a quote for ChemDiv1_012723 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012723?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012723 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.