N-1,3-benzodioxol-5-yl-2-bromobutanamide
TL;DR: N-1,3-benzodioxol-5-yl-2-bromobutanamide (CAS 451460-07-4) is a chemical compound with molecular formula C11H12BrNO3 and molecular weight 285.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-bromobutanamide
Also Known As: N-1,3-benzodioxol-5-yl-2-bromobutanamide, N-(Benzo[d][1,3]dioxol-5-yl)-2-bromobutanamide, N-(1,3-benzodioxol-5-yl)-2-bromobutanamide, N-(2H-1,3-benzodioxol-5-yl)-2-bromobutanamide, N-benzo[1,3]dioxol-5-yl-2-bromo-butanamide
| Molecular Formula | C11H12BrNO3 |
|---|---|
| Molecular Weight | 285.00 g/mol |
| LogP | 2.5273 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.00006 |
| Heavy Atoms | 16 |
| Complexity | 408.2162 |
Chemical Identifiers
| CAS Number | 451460-07-4 |
|---|---|
| SMILES | CCC(C(=O)NC1=CC2=C(C=C1)OCO2)Br |
Product Overview
N-1,3-benzodioxol-5-yl-2-bromobutanamide (CAS 451460-07-4), with molecular formula C11H12BrNO3 and molecular weight 285.00 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-bromobutanamide.
Chemical Property Profile of N-1,3-benzodioxol-5-yl-2-bromobutanamide
Property Insights of N-1,3-benzodioxol-5-yl-2-bromobutanamide
The XLogP value of 2.5273 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-1,3-benzodioxol-5-yl-2-bromobutanamide. With a topological polar surface area (TPSA) of 47.56 Ų, N-1,3-benzodioxol-5-yl-2-bromobutanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-1,3-benzodioxol-5-yl-2-bromobutanamide 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-2-bromobutanamide?
The CAS number of N-1,3-benzodioxol-5-yl-2-bromobutanamide is 451460-07-4.
What is the molecular formula of N-1,3-benzodioxol-5-yl-2-bromobutanamide?
The molecular formula of N-1,3-benzodioxol-5-yl-2-bromobutanamide is C11H12BrNO3.
What is the molecular weight of N-1,3-benzodioxol-5-yl-2-bromobutanamide?
The molecular weight of N-1,3-benzodioxol-5-yl-2-bromobutanamide is 285.00 g/mol.
Where can I buy N-1,3-benzodioxol-5-yl-2-bromobutanamide?
You can request a quote for N-1,3-benzodioxol-5-yl-2-bromobutanamide 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-2-bromobutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-1,3-benzodioxol-5-yl-2-bromobutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.