Benzene-1,2,3,4,5-d5, 6-(1-bromoethyl-1,2,2,2-d4)-
TL;DR: Benzene-1,2,3,4,5-d5, 6-(1-bromoethyl-1,2,2,2-d4)- (CAS 68239-29-2) is a chemical compound with molecular formula C8H9Br and molecular weight 193.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-bromo-1,2,2,2-tetradeuterioethyl)-2,3,4,5,6-pentadeuteriobenzene
Also Known As: 1-Phenethyl bromide, C8BrD9, EINECS 269-442-1, Benzene-d5, (1-bromoethyl-1,2,2,2-d4)-, [1-bromo(2H4)ethyl](2H5)benzene
| Molecular Formula | C8H9Br |
|---|---|
| Molecular Weight | 193.05 g/mol |
| LogP | 3.1425 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.04526 |
| Heavy Atoms | 9 |
| Complexity | 461.31662 |
Chemical Identifiers
| CAS Number | 68239-29-2 |
|---|---|
| SMILES | [2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])(C([2H])([2H])[2H])Br)[2H])[2H] |
Product Overview
Benzene-1,2,3,4,5-d5, 6-(1-bromoethyl-1,2,2,2-d4)- (CAS 68239-29-2), with molecular formula C8H9Br and molecular weight 193.05 g/mol. IUPAC: 1-(1-bromo-1,2,2,2-tetradeuterioethyl)-2,3,4,5,6-pentadeuteriobenzene.
Chemical Property Profile of Benzene-1,2,3,4,5-d5, 6-(1-bromoethyl-1,2,2,2-d4)-
Property Insights of Benzene-1,2,3,4,5-d5, 6-(1-bromoethyl-1,2,2,2-d4)-
The XLogP value of 3.1425 indicates that Benzene-1,2,3,4,5-d5, 6-(1-bromoethyl-1,2,2,2-d4)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene-1,2,3,4,5-d5, 6-(1-bromoethyl-1,2,2,2-d4)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene-1,2,3,4,5-d5, 6-(1-bromoethyl-1,2,2,2-d4)- 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 Benzene-1,2,3,4,5-d5, 6-(1-bromoethyl-1,2,2,2-d4)-?
The CAS number of Benzene-1,2,3,4,5-d5, 6-(1-bromoethyl-1,2,2,2-d4)- is 68239-29-2.
What is the molecular formula of Benzene-1,2,3,4,5-d5, 6-(1-bromoethyl-1,2,2,2-d4)-?
The molecular formula of Benzene-1,2,3,4,5-d5, 6-(1-bromoethyl-1,2,2,2-d4)- is C8H9Br.
What is the molecular weight of Benzene-1,2,3,4,5-d5, 6-(1-bromoethyl-1,2,2,2-d4)-?
The molecular weight of Benzene-1,2,3,4,5-d5, 6-(1-bromoethyl-1,2,2,2-d4)- is 193.05 g/mol.
Where can I buy Benzene-1,2,3,4,5-d5, 6-(1-bromoethyl-1,2,2,2-d4)-?
You can request a quote for Benzene-1,2,3,4,5-d5, 6-(1-bromoethyl-1,2,2,2-d4)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene-1,2,3,4,5-d5, 6-(1-bromoethyl-1,2,2,2-d4)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene-1,2,3,4,5-d5, 6-(1-bromoethyl-1,2,2,2-d4)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.