Benzamide, 5-bromo-N-butyl-2-hydroxy-3-methyl-
TL;DR: Benzamide, 5-bromo-N-butyl-2-hydroxy-3-methyl- (CAS 40912-89-8) is a chemical compound with molecular formula C12H16BrNO2 and molecular weight 285.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-N-butyl-2-hydroxy-3-methylbenzamide
Also Known As: 5-Bromo-N-butyl-2-hydroxy-3-methylbenzamide, BENZAMIDE, 5-BROMO-N-BUTYL-2-HYDROXY-3-METHYL-, 5-Bromo-2-hydroxy-N-butyl-3-methylbenzamide, J1.561.904J, N-n-Butyl-5-brom-2-hydroxy-3-methylbenzamid
| Molecular Formula | C12H16BrNO2 |
|---|---|
| Molecular Weight | 285.04 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.03644 |
| Heavy Atoms | 16 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 40912-89-8 |
|---|---|
| SMILES | CCCCNC(=O)C1=C(C(=CC(=C1)Br)C)O |
| InChIKey | OXERTUUKTZDQPG-UHFFFAOYSA-N |
Product Overview
Benzamide, 5-bromo-N-butyl-2-hydroxy-3-methyl- (CAS 40912-89-8), with molecular formula C12H16BrNO2 and molecular weight 285.04 g/mol. IUPAC: 5-bromo-N-butyl-2-hydroxy-3-methylbenzamide.
Chemical Property Profile of Benzamide, 5-bromo-N-butyl-2-hydroxy-3-methyl-
Property Insights of Benzamide, 5-bromo-N-butyl-2-hydroxy-3-methyl-
The XLogP value of 4.4 indicates that Benzamide, 5-bromo-N-butyl-2-hydroxy-3-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.3 Ų, Benzamide, 5-bromo-N-butyl-2-hydroxy-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzamide, 5-bromo-N-butyl-2-hydroxy-3-methyl- has 2 hydrogen bond donor(s) and 2 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 Benzamide, 5-bromo-N-butyl-2-hydroxy-3-methyl-?
The CAS number of Benzamide, 5-bromo-N-butyl-2-hydroxy-3-methyl- is 40912-89-8.
What is the molecular formula of Benzamide, 5-bromo-N-butyl-2-hydroxy-3-methyl-?
The molecular formula of Benzamide, 5-bromo-N-butyl-2-hydroxy-3-methyl- is C12H16BrNO2.
What is the molecular weight of Benzamide, 5-bromo-N-butyl-2-hydroxy-3-methyl-?
The molecular weight of Benzamide, 5-bromo-N-butyl-2-hydroxy-3-methyl- is 285.04 g/mol.
Where can I buy Benzamide, 5-bromo-N-butyl-2-hydroxy-3-methyl-?
You can request a quote for Benzamide, 5-bromo-N-butyl-2-hydroxy-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzamide, 5-bromo-N-butyl-2-hydroxy-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzamide, 5-bromo-N-butyl-2-hydroxy-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.