N-(2-methoxybenzyl)-3-oxobutanamide
TL;DR: N-(2-methoxybenzyl)-3-oxobutanamide (CAS 331713-77-0) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-methoxyphenyl)methyl]-3-oxobutanamide
Also Known As: N-(2-methoxybenzyl)-3-oxobutanamide, N- -3-oxobutanamide, N-[(2-methoxyphenyl)methyl]-3-oxobutanamide, N-(2-Methoxy-benzyl)-3-oxo-butyramide, BAS 00441254
| Molecular Formula | C12H15NO3 |
|---|---|
| Molecular Weight | 221.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 331713-77-0 |
|---|---|
| SMILES | CC(=O)CC(=O)NCC1=CC=CC=C1OC |
| InChIKey | DPAZAAMOYPROLF-UHFFFAOYSA-N |
Product Overview
N-(2-methoxybenzyl)-3-oxobutanamide (CAS 331713-77-0), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: N-[(2-methoxyphenyl)methyl]-3-oxobutanamide.
Chemical Property Profile of N-(2-methoxybenzyl)-3-oxobutanamide
Property Insights of N-(2-methoxybenzyl)-3-oxobutanamide
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-methoxybenzyl)-3-oxobutanamide. With a topological polar surface area (TPSA) of 55.4 Ų, N-(2-methoxybenzyl)-3-oxobutanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-methoxybenzyl)-3-oxobutanamide 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 N-(2-methoxybenzyl)-3-oxobutanamide?
The CAS number of N-(2-methoxybenzyl)-3-oxobutanamide is 331713-77-0.
What is the molecular formula of N-(2-methoxybenzyl)-3-oxobutanamide?
The molecular formula of N-(2-methoxybenzyl)-3-oxobutanamide is C12H15NO3.
What is the molecular weight of N-(2-methoxybenzyl)-3-oxobutanamide?
The molecular weight of N-(2-methoxybenzyl)-3-oxobutanamide is 221.11 g/mol.
Where can I buy N-(2-methoxybenzyl)-3-oxobutanamide?
You can request a quote for N-(2-methoxybenzyl)-3-oxobutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-methoxybenzyl)-3-oxobutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-methoxybenzyl)-3-oxobutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.