2-(4,6-二甲基-1H-吲哚-3-基)乙酸
TL;DR: 2-(4,6-二甲基-1H-吲哚-3-基)乙酸 (CAS 88611-91-0) is a chemical compound with molecular formula C12H13NO2 and molecular weight 203.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,6-二甲基-1H-吲哚-3-基)乙酸
2-(4,6-dimethyl-1H-indol-3-yl)acetic acid
Also Known As: 2- aceticacid, 2-(4,6-dimethyl-1H-indol-3-yl)acetic acid, 1H-Indole-3-aceticacid, 4,6-dimethyl-, (4,6-dimethyl-indol-3-yl)-acetic acid, (4,6-DIMETHYL-1H-INDOL-3-YL)ACETIC ACID
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 88611-91-0 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)NC=C2CC(=O)O)C |
| InChIKey | CCRZUAPLQQSHHH-UHFFFAOYSA-N |
Product Overview
2-(4,6-二甲基-1H-吲哚-3-基)乙酸 (CAS 88611-91-0), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: 2-(4,6-dimethyl-1H-indol-3-yl)acetic acid.
Chemical Property Profile of 2-(4,6-二甲基-1H-吲哚-3-基)乙酸
Property Insights of 2-(4,6-二甲基-1H-吲哚-3-基)乙酸
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4,6-二甲基-1H-吲哚-3-基)乙酸. With a topological polar surface area (TPSA) of 53.1 Ų, 2-(4,6-二甲基-1H-吲哚-3-基)乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4,6-二甲基-1H-吲哚-3-基)乙酸 has 2 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-(4,6-二甲基-1H-吲哚-3-基)乙酸?
The CAS number of 2-(4,6-二甲基-1H-吲哚-3-基)乙酸 is 88611-91-0.
What is the molecular formula of 2-(4,6-二甲基-1H-吲哚-3-基)乙酸?
The molecular formula of 2-(4,6-二甲基-1H-吲哚-3-基)乙酸 is C12H13NO2.
What is the molecular weight of 2-(4,6-二甲基-1H-吲哚-3-基)乙酸?
The molecular weight of 2-(4,6-二甲基-1H-吲哚-3-基)乙酸 is 203.09 g/mol.
Where can I buy 2-(4,6-二甲基-1H-吲哚-3-基)乙酸?
You can request a quote for 2-(4,6-二甲基-1H-吲哚-3-基)乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4,6-二甲基-1H-吲哚-3-基)乙酸?
Yes, KEHONG BIO provides custom synthesis services for 2-(4,6-二甲基-1H-吲哚-3-基)乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.