1,1,1-Tribromoheptane
TL;DR: 1,1,1-Tribromoheptane (CAS 62127-64-4) is a chemical compound with molecular formula C7H13Br3 and molecular weight 333.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-tribromoheptane
Also Known As: 1,1,1-tribromoheptane, 1,1,1-tribromo-heptane, heptane, 1,1,1-tribromo-, InChI=1/C7H13Br3/c1-2-3-4-5-6-7(8,9)10/h2-6H2,1H
| Molecular Formula | C7H13Br3 |
|---|---|
| Molecular Weight | 333.86 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.85675 |
| Heavy Atoms | 10 |
| Complexity | 75.0 |
Chemical Identifiers
| CAS Number | 62127-64-4 |
|---|---|
| SMILES | CCCCCCC(Br)(Br)Br |
| InChIKey | BJVGWLYIZWGQDH-UHFFFAOYSA-N |
Product Overview
1,1,1-Tribromoheptane (CAS 62127-64-4), with molecular formula C7H13Br3 and molecular weight 333.86 g/mol. IUPAC: 1,1,1-tribromoheptane.
Chemical Property Profile of 1,1,1-Tribromoheptane
Property Insights of 1,1,1-Tribromoheptane
The XLogP value of 5.5 indicates that 1,1,1-Tribromoheptane 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-Tribromoheptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Tribromoheptane has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1,1-Tribromoheptane?
The CAS number of 1,1,1-Tribromoheptane is 62127-64-4.
What is the molecular formula of 1,1,1-Tribromoheptane?
The molecular formula of 1,1,1-Tribromoheptane is C7H13Br3.
What is the molecular weight of 1,1,1-Tribromoheptane?
The molecular weight of 1,1,1-Tribromoheptane is 333.86 g/mol.
Where can I buy 1,1,1-Tribromoheptane?
You can request a quote for 1,1,1-Tribromoheptane 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-Tribromoheptane?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Tribromoheptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.