9H-吡啶并(3,4-b)吲哚-3-甲酸
TL;DR: 9H-吡啶并(3,4-b)吲哚-3-甲酸 (CAS 62565-25-7) is a chemical compound with molecular formula C12H8N2O2 and molecular weight 212.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9H-吡啶并(3,4-b)吲哚-3-甲酸
9H-pyrido[3,4-b]indole-3-carboxylic acid
Also Known As: 9H-pyrido[3,4-b]indole-3-carboxylic acid, Carboline-3-carboxylic acid, beta-Carboline carboxylic acid, 3-carboxy-beta-carboline, CYCLOMETHYLTRYPTOPHAN
| Molecular Formula | C12H8N2O2 |
|---|---|
| Molecular Weight | 212.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.05858 |
| Heavy Atoms | 16 |
| Complexity | 295.0 |
| Solubility | >31.8 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 62565-25-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=CC(=NC=C3N2)C(=O)O |
| InChIKey | ARLVFKCLBYUINL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9H-吡啶并(3,4-b)吲哚-3-甲酸 (CAS 62565-25-7), with molecular formula C12H8N2O2 and molecular weight 212.06 g/mol. IUPAC: 9H-pyrido[3,4-b]indole-3-carboxylic acid.
Chemical Property Profile of 9H-吡啶并(3,4-b)吲哚-3-甲酸
Property Insights of 9H-吡啶并(3,4-b)吲哚-3-甲酸
The XLogP value of 3.0 indicates that 9H-吡啶并(3,4-b)吲哚-3-甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9H-吡啶并(3,4-b)吲哚-3-甲酸. Following Lipinski's Rule of Five, 9H-吡啶并(3,4-b)吲哚-3-甲酸 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 9H-吡啶并(3,4-b)吲哚-3-甲酸?
The CAS number of 9H-吡啶并(3,4-b)吲哚-3-甲酸 is 62565-25-7.
What is the molecular formula of 9H-吡啶并(3,4-b)吲哚-3-甲酸?
The molecular formula of 9H-吡啶并(3,4-b)吲哚-3-甲酸 is C12H8N2O2.
What is the molecular weight of 9H-吡啶并(3,4-b)吲哚-3-甲酸?
The molecular weight of 9H-吡啶并(3,4-b)吲哚-3-甲酸 is 212.06 g/mol.
Where can I buy 9H-吡啶并(3,4-b)吲哚-3-甲酸?
You can request a quote for 9H-吡啶并(3,4-b)吲哚-3-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-吡啶并(3,4-b)吲哚-3-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 9H-吡啶并(3,4-b)吲哚-3-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.