4,7-二甲基-吲哚-3-乙酸
TL;DR: 4,7-二甲基-吲哚-3-乙酸 (CAS 6306-14-5) 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.
4,7-二甲基-吲哚-3-乙酸
2-(4,7-dimethyl-1H-indol-3-yl)acetic acid
Also Known As: 4,7-Dimethyl-3-indoleacetic acid, 3-INDOLEACETIC ACID, 4,7-DIMETHYL-, 4,7-Dimethyl-indole-3-acetic acid, 3-Indoleacetic acid,7-dimethyl-, Indole-3-acetic acid,7-dimethyl-
| 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 | 6306-14-5 |
|---|---|
| SMILES | CC1=C2C(=CNC2=C(C=C1)C)CC(=O)O |
| InChIKey | JEDHWHYXMXJLON-UHFFFAOYSA-N |
Product Overview
4,7-二甲基-吲哚-3-乙酸 (CAS 6306-14-5), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: 2-(4,7-dimethyl-1H-indol-3-yl)acetic acid.
Chemical Property Profile of 4,7-二甲基-吲哚-3-乙酸
Property Insights of 4,7-二甲基-吲哚-3-乙酸
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,7-二甲基-吲哚-3-乙酸. With a topological polar surface area (TPSA) of 53.1 Ų, 4,7-二甲基-吲哚-3-乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,7-二甲基-吲哚-3-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 4,7-二甲基-吲哚-3-乙酸?
The CAS number of 4,7-二甲基-吲哚-3-乙酸 is 6306-14-5.
What is the molecular formula of 4,7-二甲基-吲哚-3-乙酸?
The molecular formula of 4,7-二甲基-吲哚-3-乙酸 is C12H13NO2.
What is the molecular weight of 4,7-二甲基-吲哚-3-乙酸?
The molecular weight of 4,7-二甲基-吲哚-3-乙酸 is 203.09 g/mol.
Where can I buy 4,7-二甲基-吲哚-3-乙酸?
You can request a quote for 4,7-二甲基-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 4,7-二甲基-吲哚-3-乙酸?
Yes, KEHONG BIO provides custom synthesis services for 4,7-二甲基-吲哚-3-乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.