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N-[2-(1,3-benzodioxol-5-yl)ethyl]formamide
TL;DR: N-[2-(1,3-benzodioxol-5-yl)ethyl]formamide (CAS 33542-98-2) is a chemical compound with molecular formula C10H11NO3 and molecular weight 193.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(1,3-benzodioxol-5-yl)ethyl]formamide
Also Known As: Formylhomopiperonylamin, starbld0012985, N-[2-(1,3-benzodioxol-5-yl)ethyl]formamide, N-(2-benzo[1,3]dioxol-5-ylethyl)formamide, N-(2-(Benzo[d][1,3]dioxol-5-yl)ethyl)formamide
| Molecular Formula | C10H11NO3 |
|---|---|
| Molecular Weight | 193.07 g/mol |
| LogP | 0.7038 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 193.0739 |
| Heavy Atoms | 14 |
| Complexity | 338.13904 |
Chemical Identifiers
| CAS Number | 33542-98-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CCNC=O |
Product Overview
N-[2-(1,3-benzodioxol-5-yl)ethyl]formamide (CAS 33542-98-2), with molecular formula C10H11NO3 and molecular weight 193.07 g/mol. IUPAC: N-[2-(1,3-benzodioxol-5-yl)ethyl]formamide.
Chemical Property Profile of N-[2-(1,3-benzodioxol-5-yl)ethyl]formamide
Property Insights of N-[2-(1,3-benzodioxol-5-yl)ethyl]formamide
The XLogP value of 0.7038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[2-(1,3-benzodioxol-5-yl)ethyl]formamide. With a topological polar surface area (TPSA) of 47.56 Ų, N-[2-(1,3-benzodioxol-5-yl)ethyl]formamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[2-(1,3-benzodioxol-5-yl)ethyl]formamide 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-(1,3-benzodioxol-5-yl)ethyl]formamide?
The CAS number of N-[2-(1,3-benzodioxol-5-yl)ethyl]formamide is 33542-98-2.
What is the molecular formula of N-[2-(1,3-benzodioxol-5-yl)ethyl]formamide?
The molecular formula of N-[2-(1,3-benzodioxol-5-yl)ethyl]formamide is C10H11NO3.
What is the molecular weight of N-[2-(1,3-benzodioxol-5-yl)ethyl]formamide?
The molecular weight of N-[2-(1,3-benzodioxol-5-yl)ethyl]formamide is 193.07 g/mol.
Where can I buy N-[2-(1,3-benzodioxol-5-yl)ethyl]formamide?
You can request a quote for N-[2-(1,3-benzodioxol-5-yl)ethyl]formamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(1,3-benzodioxol-5-yl)ethyl]formamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(1,3-benzodioxol-5-yl)ethyl]formamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.