InChI=1/C9H15BrO2/c1-5-7(6-10)8(11)12-9(2,3)4/h5H,6H2,1-4H3/b7-5
TL;DR: InChI=1/C9H15BrO2/c1-5-7(6-10)8(11)12-9(2,3)4/h5H,6H2,1-4H3/b7-5 (CAS 197646-46-1) is a chemical compound with molecular formula C9H15BrO2 and molecular weight 234.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (Z)-2-(bromomethyl)but-2-enoate
Also Known As: tert-butyl 2-(bromomethyl)but-2-enoate, tert-butyl-2-(bromomethyl)but-2-enoate, tert-butyl (Z)-2-(bromomethyl)but-2-enoate, Tert-butyl (E)-2-(bromomethyl)but-2-enoate, 2-(Bromomethyl)-2-butenoic acid tert-butyl ester
| Molecular Formula | C9H15BrO2 |
|---|---|
| Molecular Weight | 234.03 g/mol |
| LogP | 2.6693 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.02554 |
| Heavy Atoms | 12 |
| Complexity | 189.19543 |
Chemical Identifiers
| CAS Number | 197646-46-1 |
|---|---|
| SMILES | C/C=C(\CBr)/C(=O)OC(C)(C)C |
Product Overview
InChI=1/C9H15BrO2/c1-5-7(6-10)8(11)12-9(2,3)4/h5H,6H2,1-4H3/b7-5 (CAS 197646-46-1), with molecular formula C9H15BrO2 and molecular weight 234.03 g/mol. IUPAC: tert-butyl (Z)-2-(bromomethyl)but-2-enoate.
Chemical Property Profile of InChI=1/C9H15BrO2/c1-5-7(6-10)8(11)12-9(2,3)4/h5H,6H2,1-4H3/b7-5
Property Insights of InChI=1/C9H15BrO2/c1-5-7(6-10)8(11)12-9(2,3)4/h5H,6H2,1-4H3/b7-5
The XLogP value of 2.6693 suggests moderate lipophilicity, balancing water solubility and membrane permeability for InChI=1/C9H15BrO2/c1-5-7(6-10)8(11)12-9(2,3)4/h5H,6H2,1-4H3/b7-5. With a topological polar surface area (TPSA) of 26.3 Ų, InChI=1/C9H15BrO2/c1-5-7(6-10)8(11)12-9(2,3)4/h5H,6H2,1-4H3/b7-5 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, InChI=1/C9H15BrO2/c1-5-7(6-10)8(11)12-9(2,3)4/h5H,6H2,1-4H3/b7-5 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 InChI=1/C9H15BrO2/c1-5-7(6-10)8(11)12-9(2,3)4/h5H,6H2,1-4H3/b7-5?
The CAS number of InChI=1/C9H15BrO2/c1-5-7(6-10)8(11)12-9(2,3)4/h5H,6H2,1-4H3/b7-5 is 197646-46-1.
What is the molecular formula of InChI=1/C9H15BrO2/c1-5-7(6-10)8(11)12-9(2,3)4/h5H,6H2,1-4H3/b7-5?
The molecular formula of InChI=1/C9H15BrO2/c1-5-7(6-10)8(11)12-9(2,3)4/h5H,6H2,1-4H3/b7-5 is C9H15BrO2.
What is the molecular weight of InChI=1/C9H15BrO2/c1-5-7(6-10)8(11)12-9(2,3)4/h5H,6H2,1-4H3/b7-5?
The molecular weight of InChI=1/C9H15BrO2/c1-5-7(6-10)8(11)12-9(2,3)4/h5H,6H2,1-4H3/b7-5 is 234.03 g/mol.
Where can I buy InChI=1/C9H15BrO2/c1-5-7(6-10)8(11)12-9(2,3)4/h5H,6H2,1-4H3/b7-5?
You can request a quote for InChI=1/C9H15BrO2/c1-5-7(6-10)8(11)12-9(2,3)4/h5H,6H2,1-4H3/b7-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for InChI=1/C9H15BrO2/c1-5-7(6-10)8(11)12-9(2,3)4/h5H,6H2,1-4H3/b7-5?
Yes, KEHONG BIO provides custom synthesis services for InChI=1/C9H15BrO2/c1-5-7(6-10)8(11)12-9(2,3)4/h5H,6H2,1-4H3/b7-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.