(~2~H_3_)Methylbenzene
TL;DR: (~2~H_3_)Methylbenzene (CAS 1124-18-1) is a chemical compound with molecular formula C7H8 and molecular weight 95.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trideuteriomethylbenzene
Also Known As: Toluene-d3, trideuteriomethylbenzene, Methyl-d3-benzene, Otoline, trideuterotoluol
| Molecular Formula | C7H8 |
|---|---|
| Molecular Weight | 95.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 95.08143 |
| Heavy Atoms | 7 |
| Complexity | 42.0 |
Chemical Identifiers
| CAS Number | 1124-18-1 |
|---|---|
| SMILES | [2H]C([2H])([2H])C1=CC=CC=C1 |
| InChIKey | YXFVVABEGXRONW-FIBGUPNXSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(~2~H_3_)Methylbenzene (CAS 1124-18-1), with molecular formula C7H8 and molecular weight 95.08 g/mol. IUPAC: trideuteriomethylbenzene.
Chemical Property Profile of (~2~H_3_)Methylbenzene
Property Insights of (~2~H_3_)Methylbenzene
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (~2~H_3_)Methylbenzene. With a topological polar surface area (TPSA) of 0.0 Ų, (~2~H_3_)Methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (~2~H_3_)Methylbenzene 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 (~2~H_3_)Methylbenzene?
The CAS number of (~2~H_3_)Methylbenzene is 1124-18-1.
What is the molecular formula of (~2~H_3_)Methylbenzene?
The molecular formula of (~2~H_3_)Methylbenzene is C7H8.
What is the molecular weight of (~2~H_3_)Methylbenzene?
The molecular weight of (~2~H_3_)Methylbenzene is 95.08 g/mol.
Where can I buy (~2~H_3_)Methylbenzene?
You can request a quote for (~2~H_3_)Methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (~2~H_3_)Methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for (~2~H_3_)Methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.