1,3-Benzodioxole, 5-bromo-6-acetamino-
TL;DR: 1,3-Benzodioxole, 5-bromo-6-acetamino- (CAS 855925-73-4) is a chemical compound with molecular formula C9H8BrNO3 and molecular weight 256.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-bromo-1,3-benzodioxol-5-yl)acetamide
Also Known As: 1,3-Benzodioxole, 5-bromo-6-acetamino-, 2'-Bromo-4',5'-methylenedioxyacetanilide, N-(6-Bromobenzo[d][1,3]dioxol-5-yl)acetamide, N-(6-bromo-1,3-benzodioxol-5-yl)acetamide
| Molecular Formula | C9H8BrNO3 |
|---|---|
| Molecular Weight | 256.97 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.96875 |
| Heavy Atoms | 14 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 855925-73-4 |
|---|---|
| SMILES | CC(=O)NC1=CC2=C(C=C1Br)OCO2 |
| InChIKey | XOVLQFJYCFRYKO-UHFFFAOYSA-N |
Product Overview
1,3-Benzodioxole, 5-bromo-6-acetamino- (CAS 855925-73-4), with molecular formula C9H8BrNO3 and molecular weight 256.97 g/mol. IUPAC: N-(6-bromo-1,3-benzodioxol-5-yl)acetamide.
Chemical Property Profile of 1,3-Benzodioxole, 5-bromo-6-acetamino-
Property Insights of 1,3-Benzodioxole, 5-bromo-6-acetamino-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole, 5-bromo-6-acetamino-. With a topological polar surface area (TPSA) of 47.6 Ų, 1,3-Benzodioxole, 5-bromo-6-acetamino- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole, 5-bromo-6-acetamino- 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 1,3-Benzodioxole, 5-bromo-6-acetamino-?
The CAS number of 1,3-Benzodioxole, 5-bromo-6-acetamino- is 855925-73-4.
What is the molecular formula of 1,3-Benzodioxole, 5-bromo-6-acetamino-?
The molecular formula of 1,3-Benzodioxole, 5-bromo-6-acetamino- is C9H8BrNO3.
What is the molecular weight of 1,3-Benzodioxole, 5-bromo-6-acetamino-?
The molecular weight of 1,3-Benzodioxole, 5-bromo-6-acetamino- is 256.97 g/mol.
Where can I buy 1,3-Benzodioxole, 5-bromo-6-acetamino-?
You can request a quote for 1,3-Benzodioxole, 5-bromo-6-acetamino- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxole, 5-bromo-6-acetamino-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole, 5-bromo-6-acetamino- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.