1,1,1,3-Tetrabromopropane
TL;DR: 1,1,1,3-Tetrabromopropane (CAS 62127-50-8) is a chemical compound with molecular formula C3H4Br4 and molecular weight 355.70 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,3-tetrabromopropane
Also Known As: 1,1,1,3-tetrabromopropane, propane, 1,1,1,3-tetrabromo-, InChI=1/C3H4Br4/c4-2-1-3(5,6)7/h1-2H
| Molecular Formula | C3H4Br4 |
|---|---|
| Molecular Weight | 355.70 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 355.70465 |
| Heavy Atoms | 7 |
| Complexity | 45.0 |
Chemical Identifiers
| CAS Number | 62127-50-8 |
|---|---|
| SMILES | C(CBr)C(Br)(Br)Br |
| InChIKey | LMDGQLHMKMPGHY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,1,3-Tetrabromopropane (CAS 62127-50-8), with molecular formula C3H4Br4 and molecular weight 355.70 g/mol. IUPAC: 1,1,1,3-tetrabromopropane.
Chemical Property Profile of 1,1,1,3-Tetrabromopropane
Property Insights of 1,1,1,3-Tetrabromopropane
The XLogP value of 3.7 indicates that 1,1,1,3-Tetrabromopropane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1,1,3-Tetrabromopropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1,3-Tetrabromopropane has 0 hydrogen bond donor(s) and 0 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 1,1,1,3-Tetrabromopropane?
The CAS number of 1,1,1,3-Tetrabromopropane is 62127-50-8.
What is the molecular formula of 1,1,1,3-Tetrabromopropane?
The molecular formula of 1,1,1,3-Tetrabromopropane is C3H4Br4.
What is the molecular weight of 1,1,1,3-Tetrabromopropane?
The molecular weight of 1,1,1,3-Tetrabromopropane is 355.70 g/mol.
Where can I buy 1,1,1,3-Tetrabromopropane?
You can request a quote for 1,1,1,3-Tetrabromopropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1,3-Tetrabromopropane?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1,3-Tetrabromopropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.