![methyl(1H-pyrrol-2-ylmethyl)[?]one structure](/static/products/1315/131514-93-7.webp)
methyl(1H-pyrrol-2-ylmethyl)[?]one
TL;DR: methyl(1H-pyrrol-2-ylmethyl)[?]one (CAS 131514-93-7) is a chemical compound with molecular formula C16H18N4O and molecular weight 282.14807 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
11-methyl-10-(1H-pyrrol-2-ylmethyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Also Known As: methyl(1H-pyrrol-2-ylmethyl)[?]one, 6-(1H-Pyrrol-2-yl-methyl)-4,5,6,7-tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one, Imidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one, 4,5,6,7-tetrahydro-5-methyl-6-(1H-pyrrol-2-ylmethyl)-, (1)-, (+/-)-6-(1H-Pyrrol-2-yl-methyl)-4,5,6,7-tetrahydro-5-methylimidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one, 11-methyl-10-[(1H-pyrrol-2-yl)methyl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Technical Specifications
| Molecular Formula | C16H18N4O |
| Molecular Weight | 282.14807 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 51.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.14807 Da |
| Heavy Atoms | 21 |
| Complexity | 415.0 |
| SMILES | CC1CN2C3=C(CN1CC4=CC=CN4)C=CC=C3NC2=O |
| InChIKey | GFARXPTYPAYTPP-UHFFFAOYSA-N |
Chemical Property Profile of methyl(1H-pyrrol-2-ylmethyl)[?]one
Property Insights of methyl(1H-pyrrol-2-ylmethyl)[?]one
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl(1H-pyrrol-2-ylmethyl)[?]one. With a topological polar surface area (TPSA) of 51.4 Ų, methyl(1H-pyrrol-2-ylmethyl)[?]one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl(1H-pyrrol-2-ylmethyl)[?]one 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
What is the CAS number of methyl(1H-pyrrol-2-ylmethyl)[?]one?
The CAS number of methyl(1H-pyrrol-2-ylmethyl)[?]one is 131514-93-7.
What is the molecular formula of methyl(1H-pyrrol-2-ylmethyl)[?]one?
The molecular formula of methyl(1H-pyrrol-2-ylmethyl)[?]one is C16H18N4O.
What is the molecular weight of methyl(1H-pyrrol-2-ylmethyl)[?]one?
The molecular weight of methyl(1H-pyrrol-2-ylmethyl)[?]one is 282.14807 g/mol.
Where can I buy methyl(1H-pyrrol-2-ylmethyl)[?]one?
You can request a quote for methyl(1H-pyrrol-2-ylmethyl)[?]one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl(1H-pyrrol-2-ylmethyl)[?]one?
Yes, CoreyChem provides custom synthesis services for methyl(1H-pyrrol-2-ylmethyl)[?]one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.