(1H-吲哚-3-基甲基)丙二酸
TL;DR: (1H-吲哚-3-基甲基)丙二酸 (CAS 7224-09-1) is a chemical compound with molecular formula C12H11NO4 and molecular weight 233.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1H-吲哚-3-基甲基)丙二酸
2-(1H-indol-3-ylmethyl)propanedioic acid
Also Known As: (1h-indol-3-ylmethyl)propanedioic acid, 3-indolylmethylmalonic acid, 2-(1H-indol-3-ylmethyl)malonic acid, 2-((1H-Indol-3-yl)methyl)malonic acid, 2-[(1H-Indol-3-yl)methyl]malonic acid
| Molecular Formula | C12H11NO4 |
|---|---|
| Molecular Weight | 233.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 90.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.0688 |
| Heavy Atoms | 17 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 7224-09-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)C(=O)O |
| InChIKey | ITCBQDSHBFHATN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1H-吲哚-3-基甲基)丙二酸 (CAS 7224-09-1), with molecular formula C12H11NO4 and molecular weight 233.07 g/mol. IUPAC: 2-(1H-indol-3-ylmethyl)propanedioic acid.
Chemical Property Profile of (1H-吲哚-3-基甲基)丙二酸
Property Insights of (1H-吲哚-3-基甲基)丙二酸
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1H-吲哚-3-基甲基)丙二酸. The TPSA of 90.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (1H-吲哚-3-基甲基)丙二酸. Following Lipinski's Rule of Five, (1H-吲哚-3-基甲基)丙二酸 has 3 hydrogen bond donor(s) and 4 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 (1H-吲哚-3-基甲基)丙二酸?
The CAS number of (1H-吲哚-3-基甲基)丙二酸 is 7224-09-1.
What is the molecular formula of (1H-吲哚-3-基甲基)丙二酸?
The molecular formula of (1H-吲哚-3-基甲基)丙二酸 is C12H11NO4.
What is the molecular weight of (1H-吲哚-3-基甲基)丙二酸?
The molecular weight of (1H-吲哚-3-基甲基)丙二酸 is 233.07 g/mol.
Where can I buy (1H-吲哚-3-基甲基)丙二酸?
You can request a quote for (1H-吲哚-3-基甲基)丙二酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1H-吲哚-3-基甲基)丙二酸?
Yes, KEHONG BIO provides custom synthesis services for (1H-吲哚-3-基甲基)丙二酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.