Isobornyl bromoacetate
TL;DR: Isobornyl bromoacetate (CAS 85414-26-2) is a chemical compound with molecular formula C12H19BrO2 and molecular weight 274.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-bromoacetate
Also Known As: Isobornyl bromoacetate, isobornylbromoacetate, NCIOpen2_001940, (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) 2-bromoacetate, acetic acid, bromo-, 1,7,7-trimethylbicyclo(2.2.1)hept-2-ylester
| Molecular Formula | C12H19BrO2 |
|---|---|
| Molecular Weight | 274.06 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.05685 |
| Heavy Atoms | 15 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 85414-26-2 |
|---|---|
| SMILES | CC1(C2CCC1(C(C2)OC(=O)CBr)C)C |
| InChIKey | UQVUYLPZSVMLRQ-UHFFFAOYSA-N |
Product Overview
Isobornyl bromoacetate (CAS 85414-26-2), with molecular formula C12H19BrO2 and molecular weight 274.06 g/mol. IUPAC: (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-bromoacetate.
Chemical Property Profile of Isobornyl bromoacetate
Property Insights of Isobornyl bromoacetate
The XLogP value of 4.1 indicates that Isobornyl bromoacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Isobornyl bromoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobornyl bromoacetate 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 Isobornyl bromoacetate?
The CAS number of Isobornyl bromoacetate is 85414-26-2.
What is the molecular formula of Isobornyl bromoacetate?
The molecular formula of Isobornyl bromoacetate is C12H19BrO2.
What is the molecular weight of Isobornyl bromoacetate?
The molecular weight of Isobornyl bromoacetate is 274.06 g/mol.
Where can I buy Isobornyl bromoacetate?
You can request a quote for Isobornyl bromoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobornyl bromoacetate?
Yes, KEHONG BIO provides custom synthesis services for Isobornyl bromoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.