丁酸1-甲基-1H-吲哚-3-基酯
TL;DR: 丁酸1-甲基-1H-吲哚-3-基酯 (CAS 20485-22-7) is a chemical compound with molecular formula C13H15NO2 and molecular weight 217.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁酸1-甲基-1H-吲哚-3-基酯
(1-methylindol-3-yl) butanoate
Also Known As: 1-Methyl-1H-indol-3-yl butyrate, (1-methylindol-3-yl) butanoate, butanoate, N-Methylindox-3-yl butyrate, 1-methyl-1H-indol-3-yl butanoate
| Molecular Formula | C13H15NO2 |
|---|---|
| Molecular Weight | 217.11 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 31.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.11028 |
| Heavy Atoms | 16 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 20485-22-7 |
|---|---|
| SMILES | CCCC(=O)OC1=CN(C2=CC=CC=C21)C |
| InChIKey | JVYIBVQFERSMOP-UHFFFAOYSA-N |
Product Overview
丁酸1-甲基-1H-吲哚-3-基酯 (CAS 20485-22-7), with molecular formula C13H15NO2 and molecular weight 217.11 g/mol. IUPAC: (1-methylindol-3-yl) butanoate.
Chemical Property Profile of 丁酸1-甲基-1H-吲哚-3-基酯
Property Insights of 丁酸1-甲基-1H-吲哚-3-基酯
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁酸1-甲基-1H-吲哚-3-基酯. With a topological polar surface area (TPSA) of 31.2 Ų, 丁酸1-甲基-1H-吲哚-3-基酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁酸1-甲基-1H-吲哚-3-基酯 has 0 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 丁酸1-甲基-1H-吲哚-3-基酯?
The CAS number of 丁酸1-甲基-1H-吲哚-3-基酯 is 20485-22-7.
What is the molecular formula of 丁酸1-甲基-1H-吲哚-3-基酯?
The molecular formula of 丁酸1-甲基-1H-吲哚-3-基酯 is C13H15NO2.
What is the molecular weight of 丁酸1-甲基-1H-吲哚-3-基酯?
The molecular weight of 丁酸1-甲基-1H-吲哚-3-基酯 is 217.11 g/mol.
Where can I buy 丁酸1-甲基-1H-吲哚-3-基酯?
You can request a quote for 丁酸1-甲基-1H-吲哚-3-基酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁酸1-甲基-1H-吲哚-3-基酯?
Yes, KEHONG BIO provides custom synthesis services for 丁酸1-甲基-1H-吲哚-3-基酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.