![methoxy-methyl-(3-methylbut-2-enyl)[?]one structure](/static/products/2578/257891-50-2.webp)
methoxy-methyl-(3-methylbut-2-enyl)[?]one
TL;DR: methoxy-methyl-(3-methylbut-2-enyl)[?]one (CAS 257891-50-2) is a chemical compound with molecular formula C17H23N3O2 and molecular weight 301.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-11-methyl-10-(3-methylbut-2-enyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Also Known As: methoxy-methyl-(3-methylbut-2-enyl)[?]one, Imidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one, 4,5,6,7-tetrahydro-10-methoxy-5-methyl-6-(3-methyl-2-butenyl)-, 10-Methoxy-5-methyl-6-(3-methylbut-2-en-1-yl)-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepin-2-ol, Imidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one,6-(cyclopropylmethyl)-8-(dimethylamino)-4,5,6,7-tetrahydro-5-methyl, Imidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one, 4,5,6,7-tetrahydro-10-methoxy-5-methyl-6-(3-methyl-2-butenyl)-
| Molecular Formula | C17H23N3O2 |
|---|---|
| Molecular Weight | 301.18 g/mol |
| LogP | 2.5085 |
| Topological Polar Surface Area | 50.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.17902 |
| Heavy Atoms | 22 |
| Complexity | 781.0333 |
Chemical Identifiers
| CAS Number | 257891-50-2 |
|---|---|
| SMILES | CC1CN2C3=C(CN1CC=C(C)C)C=CC(=C3NC2=O)OC |
Product Overview
methoxy-methyl-(3-methylbut-2-enyl)[?]one (CAS 257891-50-2), with molecular formula C17H23N3O2 and molecular weight 301.18 g/mol. IUPAC: 5-methoxy-11-methyl-10-(3-methylbut-2-enyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one.
Chemical Property Profile of methoxy-methyl-(3-methylbut-2-enyl)[?]one
Property Insights of methoxy-methyl-(3-methylbut-2-enyl)[?]one
The XLogP value of 2.5085 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methoxy-methyl-(3-methylbut-2-enyl)[?]one. With a topological polar surface area (TPSA) of 50.26 Ų, methoxy-methyl-(3-methylbut-2-enyl)[?]one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methoxy-methyl-(3-methylbut-2-enyl)[?]one has 1 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 methoxy-methyl-(3-methylbut-2-enyl)[?]one?
The CAS number of methoxy-methyl-(3-methylbut-2-enyl)[?]one is 257891-50-2.
What is the molecular formula of methoxy-methyl-(3-methylbut-2-enyl)[?]one?
The molecular formula of methoxy-methyl-(3-methylbut-2-enyl)[?]one is C17H23N3O2.
What is the molecular weight of methoxy-methyl-(3-methylbut-2-enyl)[?]one?
The molecular weight of methoxy-methyl-(3-methylbut-2-enyl)[?]one is 301.18 g/mol.
Where can I buy methoxy-methyl-(3-methylbut-2-enyl)[?]one?
You can request a quote for methoxy-methyl-(3-methylbut-2-enyl)[?]one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methoxy-methyl-(3-methylbut-2-enyl)[?]one?
Yes, KEHONG BIO provides custom synthesis services for methoxy-methyl-(3-methylbut-2-enyl)[?]one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.