甲氧甲基3-甲基-2-吲哚基酮
TL;DR: 甲氧甲基3-甲基-2-吲哚基酮 (CAS 52098-18-7) 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.
甲氧甲基3-甲基-2-吲哚基酮
2-methoxy-1-(3-methyl-1H-indol-2-yl)ethanone
Also Known As: ChemDiv2_000369, 2-(Methoxyacetyl)-3-methylindole, Methoxymethyl 3-methyl-2-indolyl ketone, KETONE, METHOXYMETHYL 3-METHYL-2-INDOLYL-, 2-methoxy-1-(3-methyl-1H-indol-2-yl)ethanone
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 52098-18-7 |
|---|---|
| SMILES | CC1=C(NC2=CC=CC=C12)C(=O)COC |
| InChIKey | SQAVRXHTSRPTBG-UHFFFAOYSA-N |
Product Overview
甲氧甲基3-甲基-2-吲哚基酮 (CAS 52098-18-7), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: 2-methoxy-1-(3-methyl-1H-indol-2-yl)ethanone.
Chemical Property Profile of 甲氧甲基3-甲基-2-吲哚基酮
Property Insights of 甲氧甲基3-甲基-2-吲哚基酮
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲氧甲基3-甲基-2-吲哚基酮. With a topological polar surface area (TPSA) of 42.1 Ų, 甲氧甲基3-甲基-2-吲哚基酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 甲氧甲基3-甲基-2-吲哚基酮 has 1 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 甲氧甲基3-甲基-2-吲哚基酮?
The CAS number of 甲氧甲基3-甲基-2-吲哚基酮 is 52098-18-7.
What is the molecular formula of 甲氧甲基3-甲基-2-吲哚基酮?
The molecular formula of 甲氧甲基3-甲基-2-吲哚基酮 is C12H13NO2.
What is the molecular weight of 甲氧甲基3-甲基-2-吲哚基酮?
The molecular weight of 甲氧甲基3-甲基-2-吲哚基酮 is 203.09 g/mol.
Where can I buy 甲氧甲基3-甲基-2-吲哚基酮?
You can request a quote for 甲氧甲基3-甲基-2-吲哚基酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲氧甲基3-甲基-2-吲哚基酮?
Yes, KEHONG BIO provides custom synthesis services for 甲氧甲基3-甲基-2-吲哚基酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.