alpha-Bromo(2H7)toluene
TL;DR: alpha-Bromo(2H7)toluene (CAS 59502-05-5) is a chemical compound with molecular formula C7H7Cl and molecular weight 133.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[chloro(dideuterio)methyl]-2,3,4,5,6-pentadeuteriobenzene
Also Known As: Benzyl chloride-d7, alpha-Bromo(2H7)toluene, BENZYL-D7 CHLORIDE, A-Chlorotoluene-d7, Benzyl chloride-d?
| Molecular Formula | C7H7Cl |
|---|---|
| Molecular Weight | 133.07 g/mol |
| LogP | 2.4254 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 133.06757 |
| Heavy Atoms | 8 |
| Complexity | 379.77533 |
Chemical Identifiers
| CAS Number | 59502-05-5 |
|---|---|
| SMILES | [2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])([2H])Cl)[2H])[2H] |
Product Overview
alpha-Bromo(2H7)toluene (CAS 59502-05-5), with molecular formula C7H7Cl and molecular weight 133.07 g/mol. IUPAC: 1-[chloro(dideuterio)methyl]-2,3,4,5,6-pentadeuteriobenzene.
Chemical Property Profile of alpha-Bromo(2H7)toluene
Property Insights of alpha-Bromo(2H7)toluene
The XLogP value of 2.4254 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Bromo(2H7)toluene. With a topological polar surface area (TPSA) of 0.0 Ų, alpha-Bromo(2H7)toluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Bromo(2H7)toluene 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 alpha-Bromo(2H7)toluene?
The CAS number of alpha-Bromo(2H7)toluene is 59502-05-5.
What is the molecular formula of alpha-Bromo(2H7)toluene?
The molecular formula of alpha-Bromo(2H7)toluene is C7H7Cl.
What is the molecular weight of alpha-Bromo(2H7)toluene?
The molecular weight of alpha-Bromo(2H7)toluene is 133.07 g/mol.
Where can I buy alpha-Bromo(2H7)toluene?
You can request a quote for alpha-Bromo(2H7)toluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Bromo(2H7)toluene?
Yes, KEHONG BIO provides custom synthesis services for alpha-Bromo(2H7)toluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.