N-(1,3-benzodioxol-5-ylmethyl)-4-(phenylethynyl)benzamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-4-(phenylethynyl)benzamide (CAS 439141-67-0) is a chemical compound with molecular formula C23H17NO3 and molecular weight 355.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-4-(2-phenylethynyl)benzamide
Also Known As: BIM-0035247.P001, N-(1,3-benzodioxol-5-ylmethyl)-4-(phenylethynyl)benzamide, N-(1,3-benzodioxol-5-ylmethyl)-4-(2-phenylethynyl)benzamide, N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-4-(2-PHENYLETHYNYL)BENZAMIDE
| Molecular Formula | C23H17NO3 |
|---|---|
| Molecular Weight | 355.12 g/mol |
| LogP | 3.7451 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.12085 |
| Heavy Atoms | 27 |
| Complexity | 1014.98425 |
Chemical Identifiers
| CAS Number | 439141-67-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=C(C=C3)C#CC4=CC=CC=C4 |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-4-(phenylethynyl)benzamide (CAS 439141-67-0), with molecular formula C23H17NO3 and molecular weight 355.12 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-phenylethynyl)benzamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-4-(phenylethynyl)benzamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-4-(phenylethynyl)benzamide
The XLogP value of 3.7451 indicates that N-(1,3-benzodioxol-5-ylmethyl)-4-(phenylethynyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.56 Ų, N-(1,3-benzodioxol-5-ylmethyl)-4-(phenylethynyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-4-(phenylethynyl)benzamide 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-(1,3-benzodioxol-5-ylmethyl)-4-(phenylethynyl)benzamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-4-(phenylethynyl)benzamide is 439141-67-0.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-4-(phenylethynyl)benzamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-4-(phenylethynyl)benzamide is C23H17NO3.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-4-(phenylethynyl)benzamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-4-(phenylethynyl)benzamide is 355.12 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-4-(phenylethynyl)benzamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-4-(phenylethynyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)-4-(phenylethynyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-4-(phenylethynyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.