Cambridge id 5632691
TL;DR: Cambridge id 5632691 (CAS 418805-50-2) is a chemical compound with molecular formula C12H17NO3 and molecular weight 223.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-4-ethyl-6-nitrophenol
Also Known As: 2-tert-butyl-4-ethyl-6-nitrophenol, 4-ethyl-2-nitro-6-tert-butyl-phenol, PHENOL, 2-(1,1-DIMETHYLETHYL)-4-ETHYL-6-NITRO-, Phenol, 2-(1,1-dimethylethyl)-4-ethyl-6-nitro- (9CI)
| Molecular Formula | C12H17NO3 |
|---|---|
| Molecular Weight | 223.12 g/mol |
| LogP | 3.1603 |
| Topological Polar Surface Area | 63.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.12085 |
| Heavy Atoms | 16 |
| Complexity | 419.00742 |
Chemical Identifiers
| CAS Number | 418805-50-2 |
|---|---|
| SMILES | CCC1=CC(=C(C(=C1)[N+](=O)[O-])O)C(C)(C)C |
Product Overview
Cambridge id 5632691 (CAS 418805-50-2), with molecular formula C12H17NO3 and molecular weight 223.12 g/mol. IUPAC: 2-tert-butyl-4-ethyl-6-nitrophenol.
Chemical Property Profile of Cambridge id 5632691
Property Insights of Cambridge id 5632691
The XLogP value of 3.1603 indicates that Cambridge id 5632691 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.37 Ų falls within the moderate polarity range, balancing permeability and solubility for Cambridge id 5632691. Following Lipinski's Rule of Five, Cambridge id 5632691 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 Cambridge id 5632691?
The CAS number of Cambridge id 5632691 is 418805-50-2.
What is the molecular formula of Cambridge id 5632691?
The molecular formula of Cambridge id 5632691 is C12H17NO3.
What is the molecular weight of Cambridge id 5632691?
The molecular weight of Cambridge id 5632691 is 223.12 g/mol.
Where can I buy Cambridge id 5632691?
You can request a quote for Cambridge id 5632691 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cambridge id 5632691?
Yes, KEHONG BIO provides custom synthesis services for Cambridge id 5632691 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.