5-甲氧基-2-甲基吲哚-3-乙酸
TL;DR: 5-甲氧基-2-甲基吲哚-3-乙酸 (CAS 2882-15-7) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-甲氧基-2-甲基吲哚-3-乙酸
2-(5-methoxy-2-methyl-1H-indol-3-yl)acetic acid
Also Known As: 5-Methoxy-2-methyl-3-indoleacetic acid, N-Deschlorobenzoyl indomethacin, 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetic acid, 5 MIAA, Deschlorobenzoylindomethacin
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 2882-15-7 |
|---|---|
| SMILES | CC1=C(C2=C(N1)C=CC(=C2)OC)CC(=O)O |
| InChIKey | TXWGINUZLBAKDF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-甲氧基-2-甲基吲哚-3-乙酸 (CAS 2882-15-7), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetic acid.
Chemical Property Profile of 5-甲氧基-2-甲基吲哚-3-乙酸
Property Insights of 5-甲氧基-2-甲基吲哚-3-乙酸
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-甲氧基-2-甲基吲哚-3-乙酸. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-甲氧基-2-甲基吲哚-3-乙酸. Following Lipinski's Rule of Five, 5-甲氧基-2-甲基吲哚-3-乙酸 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 5-甲氧基-2-甲基吲哚-3-乙酸?
The CAS number of 5-甲氧基-2-甲基吲哚-3-乙酸 is 2882-15-7.
What is the molecular formula of 5-甲氧基-2-甲基吲哚-3-乙酸?
The molecular formula of 5-甲氧基-2-甲基吲哚-3-乙酸 is C12H13NO3.
What is the molecular weight of 5-甲氧基-2-甲基吲哚-3-乙酸?
The molecular weight of 5-甲氧基-2-甲基吲哚-3-乙酸 is 219.09 g/mol.
Where can I buy 5-甲氧基-2-甲基吲哚-3-乙酸?
You can request a quote for 5-甲氧基-2-甲基吲哚-3-乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-甲氧基-2-甲基吲哚-3-乙酸?
Yes, KEHONG BIO provides custom synthesis services for 5-甲氧基-2-甲基吲哚-3-乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.