1-Adamantyl 4-bromo-3-nitrobenzoate
TL;DR: 1-Adamantyl 4-bromo-3-nitrobenzoate (CAS 355153-96-7) is a chemical compound with molecular formula C17H18BrNO4 and molecular weight 379.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-adamantyl 4-bromo-3-nitrobenzoate
Also Known As: 1-adamantyl 4-bromo-3-nitrobenzoate, adamantanyl 4-bromo-3-nitrobenzoate, ADAMANTAN-1-YL 4-BROMO-3-NITROBENZOATE, AB01331805-02, AB01331805-03
| Molecular Formula | C17H18BrNO4 |
|---|---|
| Molecular Weight | 379.04 g/mol |
| LogP | 4.4829 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.04193 |
| Heavy Atoms | 23 |
| Complexity | 651.8868 |
Chemical Identifiers
| CAS Number | 355153-96-7 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)OC(=O)C4=CC(=C(C=C4)Br)[N+](=O)[O-] |
Product Overview
1-Adamantyl 4-bromo-3-nitrobenzoate (CAS 355153-96-7), with molecular formula C17H18BrNO4 and molecular weight 379.04 g/mol. IUPAC: 1-adamantyl 4-bromo-3-nitrobenzoate.
Chemical Property Profile of 1-Adamantyl 4-bromo-3-nitrobenzoate
Property Insights of 1-Adamantyl 4-bromo-3-nitrobenzoate
The XLogP value of 4.4829 indicates that 1-Adamantyl 4-bromo-3-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Adamantyl 4-bromo-3-nitrobenzoate. Following Lipinski's Rule of Five, 1-Adamantyl 4-bromo-3-nitrobenzoate has 0 hydrogen bond donor(s) and 4 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-Adamantyl 4-bromo-3-nitrobenzoate?
The CAS number of 1-Adamantyl 4-bromo-3-nitrobenzoate is 355153-96-7.
What is the molecular formula of 1-Adamantyl 4-bromo-3-nitrobenzoate?
The molecular formula of 1-Adamantyl 4-bromo-3-nitrobenzoate is C17H18BrNO4.
What is the molecular weight of 1-Adamantyl 4-bromo-3-nitrobenzoate?
The molecular weight of 1-Adamantyl 4-bromo-3-nitrobenzoate is 379.04 g/mol.
Where can I buy 1-Adamantyl 4-bromo-3-nitrobenzoate?
You can request a quote for 1-Adamantyl 4-bromo-3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Adamantyl 4-bromo-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Adamantyl 4-bromo-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.