3-Bromo-2,2-bis(bromomethyl)propyl acetate
TL;DR: 3-Bromo-2,2-bis(bromomethyl)propyl acetate (CAS 35972-58-8) is a chemical compound with molecular formula C7H11Br3O2 and molecular weight 363.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-bromo-2,2-bis(bromomethyl)propyl] acetate
Also Known As: 3-bromo-2,2-bis(bromomethyl)propyl acetate, [3-bromo-2,2-bis(bromomethyl)propyl] acetate, Tribrom-monoacetyl-pentaerythrit, 3-bromo-2,2-bis(bromomethyl)propylacetate, RefChem:277224
| Molecular Formula | C7H11Br3O2 |
|---|---|
| Molecular Weight | 363.83 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 363.83093 |
| Heavy Atoms | 12 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 35972-58-8 |
|---|---|
| SMILES | CC(=O)OCC(CBr)(CBr)CBr |
| InChIKey | HNKJDSDREJCMHR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromo-2,2-bis(bromomethyl)propyl acetate (CAS 35972-58-8), with molecular formula C7H11Br3O2 and molecular weight 363.83 g/mol. IUPAC: [3-bromo-2,2-bis(bromomethyl)propyl] acetate.
Chemical Property Profile of 3-Bromo-2,2-bis(bromomethyl)propyl acetate
Property Insights of 3-Bromo-2,2-bis(bromomethyl)propyl acetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-2,2-bis(bromomethyl)propyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Bromo-2,2-bis(bromomethyl)propyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-2,2-bis(bromomethyl)propyl acetate 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 3-Bromo-2,2-bis(bromomethyl)propyl acetate?
The CAS number of 3-Bromo-2,2-bis(bromomethyl)propyl acetate is 35972-58-8.
What is the molecular formula of 3-Bromo-2,2-bis(bromomethyl)propyl acetate?
The molecular formula of 3-Bromo-2,2-bis(bromomethyl)propyl acetate is C7H11Br3O2.
What is the molecular weight of 3-Bromo-2,2-bis(bromomethyl)propyl acetate?
The molecular weight of 3-Bromo-2,2-bis(bromomethyl)propyl acetate is 363.83 g/mol.
Where can I buy 3-Bromo-2,2-bis(bromomethyl)propyl acetate?
You can request a quote for 3-Bromo-2,2-bis(bromomethyl)propyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-2,2-bis(bromomethyl)propyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-2,2-bis(bromomethyl)propyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.