N-(1,3-benzodioxol-5-yl)-4-bromobenzamide
TL;DR: N-(1,3-benzodioxol-5-yl)-4-bromobenzamide (CAS 362592-20-9) is a chemical compound with molecular formula C14H10BrNO3 and molecular weight 318.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-4-bromobenzamide
Also Known As: N-(1,3-benzodioxol-5-yl)-4-bromobenzamide, AB00076544-01, N-(2H-1,3-BENZODIOXOL-5-YL)-4-BROMOBENZAMIDE, N~1~-(1,3-BENZODIOXOL-5-YL)-4-BROMOBENZAMIDE, N-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)(4-bromophenyl)carboxamide
| Molecular Formula | C14H10BrNO3 |
|---|---|
| Molecular Weight | 318.98 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.9844 |
| Heavy Atoms | 19 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 362592-20-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)Br |
| InChIKey | RLTVZSRXMZTPHJ-UHFFFAOYSA-N |
Product Overview
N-(1,3-benzodioxol-5-yl)-4-bromobenzamide (CAS 362592-20-9), with molecular formula C14H10BrNO3 and molecular weight 318.98 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-4-bromobenzamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-4-bromobenzamide
Property Insights of N-(1,3-benzodioxol-5-yl)-4-bromobenzamide
The XLogP value of 3.3 indicates that N-(1,3-benzodioxol-5-yl)-4-bromobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, N-(1,3-benzodioxol-5-yl)-4-bromobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-4-bromobenzamide 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-yl)-4-bromobenzamide?
The CAS number of N-(1,3-benzodioxol-5-yl)-4-bromobenzamide is 362592-20-9.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-4-bromobenzamide?
The molecular formula of N-(1,3-benzodioxol-5-yl)-4-bromobenzamide is C14H10BrNO3.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-4-bromobenzamide?
The molecular weight of N-(1,3-benzodioxol-5-yl)-4-bromobenzamide is 318.98 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-4-bromobenzamide?
You can request a quote for N-(1,3-benzodioxol-5-yl)-4-bromobenzamide 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-yl)-4-bromobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-4-bromobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.