3-溴-5-叔丁基-4-羟基苯甲腈
TL;DR: 3-溴-5-叔丁基-4-羟基苯甲腈 (CAS 4910-06-9) is a chemical compound with molecular formula C11H12BrNO and molecular weight 253.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-溴-5-叔丁基-4-羟基苯甲腈
3-bromo-5-tert-butyl-4-hydroxybenzonitrile
Also Known As: 3-Bromo-5-tert-butyl-4-hydroxybenzonitrile, BENZONITRILE, 3-BROMO-5-tert-BUTYL-4-HYDROXY-, 3-Bromo-4-hydroxy-5-tert-butyl-benzonitrile, 3-bromo-5-tert-butyl-4-hydroxy-benzonitrile, 4-10-00-00733 (Beilstein Handbook Reference)
| Molecular Formula | C11H12BrNO |
|---|---|
| Molecular Weight | 253.01 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 253.01022 |
| Heavy Atoms | 14 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 4910-06-9 |
|---|---|
| SMILES | CC(C)(C)C1=C(C(=CC(=C1)C#N)Br)O |
| InChIKey | VNGBEYAOVIWICC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-溴-5-叔丁基-4-羟基苯甲腈 (CAS 4910-06-9), with molecular formula C11H12BrNO and molecular weight 253.01 g/mol. IUPAC: 3-bromo-5-tert-butyl-4-hydroxybenzonitrile.
Chemical Property Profile of 3-溴-5-叔丁基-4-羟基苯甲腈
Property Insights of 3-溴-5-叔丁基-4-羟基苯甲腈
The XLogP value of 3.6 indicates that 3-溴-5-叔丁基-4-羟基苯甲腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.0 Ų, 3-溴-5-叔丁基-4-羟基苯甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-溴-5-叔丁基-4-羟基苯甲腈 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-溴-5-叔丁基-4-羟基苯甲腈?
The CAS number of 3-溴-5-叔丁基-4-羟基苯甲腈 is 4910-06-9.
What is the molecular formula of 3-溴-5-叔丁基-4-羟基苯甲腈?
The molecular formula of 3-溴-5-叔丁基-4-羟基苯甲腈 is C11H12BrNO.
What is the molecular weight of 3-溴-5-叔丁基-4-羟基苯甲腈?
The molecular weight of 3-溴-5-叔丁基-4-羟基苯甲腈 is 253.01 g/mol.
Where can I buy 3-溴-5-叔丁基-4-羟基苯甲腈?
You can request a quote for 3-溴-5-叔丁基-4-羟基苯甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-溴-5-叔丁基-4-羟基苯甲腈?
Yes, KEHONG BIO provides custom synthesis services for 3-溴-5-叔丁基-4-羟基苯甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.