![N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide structure](/static/products/1878/18780-56-8.webp)
N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
TL;DR: N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide (CAS 18780-56-8) is a chemical compound with molecular formula C18H19NO5 and molecular weight 329.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
Also Known As: BIM-0028547.P001, N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-2H-1,3-benzodioxole-5-carboxamide, 2H-benzo[3,4-d]1,3-dioxolan-5-yl-N-[2-(3,4-dimethoxyphenyl)ethyl]carboxamide
| Molecular Formula | C18H19NO5 |
|---|---|
| Molecular Weight | 329.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 329.1263 |
| Heavy Atoms | 24 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 18780-56-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)OCO3)OC |
| InChIKey | QTMNLMSRCFOTQP-UHFFFAOYSA-N |
Product Overview
N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide (CAS 18780-56-8), with molecular formula C18H19NO5 and molecular weight 329.13 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
Property Insights of N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide. Following Lipinski's Rule of Five, N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide has 1 hydrogen bond donor(s) and 5 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-(3,4-dimethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide?
The CAS number of N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide is 18780-56-8.
What is the molecular formula of N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide?
The molecular formula of N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide is C18H19NO5.
What is the molecular weight of N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide?
The molecular weight of N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide is 329.13 g/mol.
Where can I buy N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide?
You can request a quote for N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.