![3-[(4-methyl-1-piperidinyl)carbonyl]-1H-isochromen-1-one structure](/static/products/4452/445249-87-6.webp)
3-[(4-methyl-1-piperidinyl)carbonyl]-1H-isochromen-1-one
TL;DR: 3-[(4-methyl-1-piperidinyl)carbonyl]-1H-isochromen-1-one (CAS 445249-87-6) is a chemical compound with molecular formula C16H17NO3 and molecular weight 271.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylpiperidine-1-carbonyl)isochromen-1-one
Also Known As: 3-[(4-methyl-1-piperidinyl)carbonyl]-1H-isochromen-1-one, 3-(4-methylpiperidine-1-carbonyl)isochromen-1-one, 3-(4-methylpiperidine-1-carbonyl)-1H-isochromen-1-one, 3-[(4-methylpiperidin-1-yl)carbonyl]-1H-isochromen-1-one
| Molecular Formula | C16H17NO3 |
|---|---|
| Molecular Weight | 271.12 g/mol |
| LogP | 2.6651 |
| Topological Polar Surface Area | 50.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 271.12085 |
| Heavy Atoms | 20 |
| Complexity | 696.1794 |
Chemical Identifiers
| CAS Number | 445249-87-6 |
|---|---|
| SMILES | CC1CCN(CC1)C(=O)C2=CC3=CC=CC=C3C(=O)O2 |
Product Overview
3-[(4-methyl-1-piperidinyl)carbonyl]-1H-isochromen-1-one (CAS 445249-87-6), with molecular formula C16H17NO3 and molecular weight 271.12 g/mol. IUPAC: 3-(4-methylpiperidine-1-carbonyl)isochromen-1-one.
Chemical Property Profile of 3-[(4-methyl-1-piperidinyl)carbonyl]-1H-isochromen-1-one
Property Insights of 3-[(4-methyl-1-piperidinyl)carbonyl]-1H-isochromen-1-one
The XLogP value of 2.6651 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-methyl-1-piperidinyl)carbonyl]-1H-isochromen-1-one. With a topological polar surface area (TPSA) of 50.52 Ų, 3-[(4-methyl-1-piperidinyl)carbonyl]-1H-isochromen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-methyl-1-piperidinyl)carbonyl]-1H-isochromen-1-one has 0 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 3-[(4-methyl-1-piperidinyl)carbonyl]-1H-isochromen-1-one?
The CAS number of 3-[(4-methyl-1-piperidinyl)carbonyl]-1H-isochromen-1-one is 445249-87-6.
What is the molecular formula of 3-[(4-methyl-1-piperidinyl)carbonyl]-1H-isochromen-1-one?
The molecular formula of 3-[(4-methyl-1-piperidinyl)carbonyl]-1H-isochromen-1-one is C16H17NO3.
What is the molecular weight of 3-[(4-methyl-1-piperidinyl)carbonyl]-1H-isochromen-1-one?
The molecular weight of 3-[(4-methyl-1-piperidinyl)carbonyl]-1H-isochromen-1-one is 271.12 g/mol.
Where can I buy 3-[(4-methyl-1-piperidinyl)carbonyl]-1H-isochromen-1-one?
You can request a quote for 3-[(4-methyl-1-piperidinyl)carbonyl]-1H-isochromen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-methyl-1-piperidinyl)carbonyl]-1H-isochromen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-methyl-1-piperidinyl)carbonyl]-1H-isochromen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.