N-Isopropyl-3,4,5-trimethoxybenzamide
TL;DR: N-Isopropyl-3,4,5-trimethoxybenzamide (CAS 70001-44-4) is a chemical compound with molecular formula C13H19NO4 and molecular weight 253.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-trimethoxy-N-propan-2-ylbenzamide
Also Known As: N-Isopropyl-3,4,5-trimethoxybenzamide, 3,4,5-trimethoxy-N-propan-2-ylbenzamide, 3,4,5-trimethoxy-N-(propan-2-yl)benzamide, N-(methylethyl)(3,4,5-trimethoxyphenyl)carboxamide
| Molecular Formula | C13H19NO4 |
|---|---|
| Molecular Weight | 253.13 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 253.13141 |
| Heavy Atoms | 18 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 70001-44-4 |
|---|---|
| SMILES | CC(C)NC(=O)C1=CC(=C(C(=C1)OC)OC)OC |
| InChIKey | JYMUZJZNWKAJJB-UHFFFAOYSA-N |
Product Overview
N-Isopropyl-3,4,5-trimethoxybenzamide (CAS 70001-44-4), with molecular formula C13H19NO4 and molecular weight 253.13 g/mol. IUPAC: 3,4,5-trimethoxy-N-propan-2-ylbenzamide.
Chemical Property Profile of N-Isopropyl-3,4,5-trimethoxybenzamide
Property Insights of N-Isopropyl-3,4,5-trimethoxybenzamide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Isopropyl-3,4,5-trimethoxybenzamide. With a topological polar surface area (TPSA) of 56.8 Ų, N-Isopropyl-3,4,5-trimethoxybenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Isopropyl-3,4,5-trimethoxybenzamide has 1 hydrogen bond donor(s) and 4 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-Isopropyl-3,4,5-trimethoxybenzamide?
The CAS number of N-Isopropyl-3,4,5-trimethoxybenzamide is 70001-44-4.
What is the molecular formula of N-Isopropyl-3,4,5-trimethoxybenzamide?
The molecular formula of N-Isopropyl-3,4,5-trimethoxybenzamide is C13H19NO4.
What is the molecular weight of N-Isopropyl-3,4,5-trimethoxybenzamide?
The molecular weight of N-Isopropyl-3,4,5-trimethoxybenzamide is 253.13 g/mol.
Where can I buy N-Isopropyl-3,4,5-trimethoxybenzamide?
You can request a quote for N-Isopropyl-3,4,5-trimethoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Isopropyl-3,4,5-trimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-Isopropyl-3,4,5-trimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.