3-(4-甲氧基苯基)-1H-吲哚-2-甲酸
TL;DR: 3-(4-甲氧基苯基)-1H-吲哚-2-甲酸 (CAS 70794-11-5) is a chemical compound with molecular formula C16H13NO3 and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-甲氧基苯基)-1H-吲哚-2-甲酸
3-(4-methoxyphenyl)-1H-indole-2-carboxylic acid
Also Known As: 3-(4-methoxyphenyl)-1H-indole-2-carboxylic acid, 3-(4-METHOXY-PHENYL)-1H-INDOLE-2-CARBOXYLIC ACID, 2001AJ, 3- -1H-INDOLE-2-CARBOXYLICACID, 3-(4-Methoxyphenyl)-1H-indole-2-carboxylicacid
| Molecular Formula | C16H13NO3 |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.08954 |
| Heavy Atoms | 20 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 70794-11-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(NC3=CC=CC=C32)C(=O)O |
| InChIKey | YMCBOVUBWVQGIK-UHFFFAOYSA-N |
Product Overview
3-(4-甲氧基苯基)-1H-吲哚-2-甲酸 (CAS 70794-11-5), with molecular formula C16H13NO3 and molecular weight 267.09 g/mol. IUPAC: 3-(4-methoxyphenyl)-1H-indole-2-carboxylic acid.
Chemical Property Profile of 3-(4-甲氧基苯基)-1H-吲哚-2-甲酸
Property Insights of 3-(4-甲氧基苯基)-1H-吲哚-2-甲酸
The XLogP value of 3.5 indicates that 3-(4-甲氧基苯基)-1H-吲哚-2-甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-甲氧基苯基)-1H-吲哚-2-甲酸. Following Lipinski's Rule of Five, 3-(4-甲氧基苯基)-1H-吲哚-2-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 3-(4-甲氧基苯基)-1H-吲哚-2-甲酸?
The CAS number of 3-(4-甲氧基苯基)-1H-吲哚-2-甲酸 is 70794-11-5.
What is the molecular formula of 3-(4-甲氧基苯基)-1H-吲哚-2-甲酸?
The molecular formula of 3-(4-甲氧基苯基)-1H-吲哚-2-甲酸 is C16H13NO3.
What is the molecular weight of 3-(4-甲氧基苯基)-1H-吲哚-2-甲酸?
The molecular weight of 3-(4-甲氧基苯基)-1H-吲哚-2-甲酸 is 267.09 g/mol.
Where can I buy 3-(4-甲氧基苯基)-1H-吲哚-2-甲酸?
You can request a quote for 3-(4-甲氧基苯基)-1H-吲哚-2-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-甲氧基苯基)-1H-吲哚-2-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-甲氧基苯基)-1H-吲哚-2-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.