3,5-Dibromo-2-hydroxybenzonitrile
TL;DR: 3,5-Dibromo-2-hydroxybenzonitrile (CAS 40718-08-9) is a chemical compound with molecular formula C7H3Br2NO and molecular weight 274.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dibromo-2-hydroxybenzonitrile
Also Known As: 3,5-dibromo-2-hydroxybenzonitrile, Hydroxy-3,5-dibromobenzonitrile, 3,5-dibromo-2-hydroxy-benzonitrile, 2-Hydroxy-3,5-dibromobenzonitrile, benzonitrile, 3,5-dibromo-2-hydroxy-
| Molecular Formula | C7H3Br2NO |
|---|---|
| Molecular Weight | 274.86 g/mol |
| LogP | 2.78888 |
| Topological Polar Surface Area | 44.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 274.85815 |
| Heavy Atoms | 11 |
| Complexity | 329.94785 |
Chemical Identifiers
| CAS Number | 40718-08-9 |
|---|---|
| SMILES | C1=C(C=C(C(=C1C#N)O)Br)Br |
Product Overview
3,5-Dibromo-2-hydroxybenzonitrile (CAS 40718-08-9), with molecular formula C7H3Br2NO and molecular weight 274.86 g/mol. IUPAC: 3,5-dibromo-2-hydroxybenzonitrile.
Chemical Property Profile of 3,5-Dibromo-2-hydroxybenzonitrile
Property Insights of 3,5-Dibromo-2-hydroxybenzonitrile
The XLogP value of 2.78888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dibromo-2-hydroxybenzonitrile. With a topological polar surface area (TPSA) of 44.02 Ų, 3,5-Dibromo-2-hydroxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dibromo-2-hydroxybenzonitrile has 1 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 3,5-Dibromo-2-hydroxybenzonitrile?
The CAS number of 3,5-Dibromo-2-hydroxybenzonitrile is 40718-08-9.
What is the molecular formula of 3,5-Dibromo-2-hydroxybenzonitrile?
The molecular formula of 3,5-Dibromo-2-hydroxybenzonitrile is C7H3Br2NO.
What is the molecular weight of 3,5-Dibromo-2-hydroxybenzonitrile?
The molecular weight of 3,5-Dibromo-2-hydroxybenzonitrile is 274.86 g/mol.
Where can I buy 3,5-Dibromo-2-hydroxybenzonitrile?
You can request a quote for 3,5-Dibromo-2-hydroxybenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dibromo-2-hydroxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dibromo-2-hydroxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.