1-Adamantyl 2-bromobenzoate
TL;DR: 1-Adamantyl 2-bromobenzoate (CAS 306278-18-2) is a chemical compound with molecular formula C17H19BrO2 and molecular weight 334.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-adamantyl 2-bromobenzoate
Also Known As: 1-adamantyl 2-bromobenzoate, adamantanyl 2-bromobenzoate, ADAMANTAN-1-YL 2-BROMOBENZOATE, AF-399/07248016
| Molecular Formula | C17H19BrO2 |
|---|---|
| Molecular Weight | 334.06 g/mol |
| LogP | 4.5747 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.05685 |
| Heavy Atoms | 20 |
| Complexity | 516.3917 |
Chemical Identifiers
| CAS Number | 306278-18-2 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)OC(=O)C4=CC=CC=C4Br |
Product Overview
1-Adamantyl 2-bromobenzoate (CAS 306278-18-2), with molecular formula C17H19BrO2 and molecular weight 334.06 g/mol. IUPAC: 1-adamantyl 2-bromobenzoate.
Chemical Property Profile of 1-Adamantyl 2-bromobenzoate
Property Insights of 1-Adamantyl 2-bromobenzoate
The XLogP value of 4.5747 indicates that 1-Adamantyl 2-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Adamantyl 2-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Adamantyl 2-bromobenzoate has 0 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 1-Adamantyl 2-bromobenzoate?
The CAS number of 1-Adamantyl 2-bromobenzoate is 306278-18-2.
What is the molecular formula of 1-Adamantyl 2-bromobenzoate?
The molecular formula of 1-Adamantyl 2-bromobenzoate is C17H19BrO2.
What is the molecular weight of 1-Adamantyl 2-bromobenzoate?
The molecular weight of 1-Adamantyl 2-bromobenzoate is 334.06 g/mol.
Where can I buy 1-Adamantyl 2-bromobenzoate?
You can request a quote for 1-Adamantyl 2-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Adamantyl 2-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Adamantyl 2-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.