Toluene-d7
TL;DR: Toluene-d7 (CAS 2154-55-4) is a chemical compound with molecular formula C7H8 and molecular weight 99.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4,5-pentadeuterio-6-(dideuteriomethyl)benzene
Also Known As: toluene-d7, Otoline, Benzyl-d7 radical, 1-(2H2)methyl(2H5)benzene, (alpha,alpha,2,3,4,5,6-2H7)Toluene
| Molecular Formula | C7H8 |
|---|---|
| Molecular Weight | 99.11 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 | 99.10654 |
| Heavy Atoms | 7 |
| Complexity | 42.0 |
Chemical Identifiers
| CAS Number | 2154-55-4 |
|---|---|
| SMILES | [2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])[2H])[2H])[2H] |
| InChIKey | YXFVVABEGXRONW-QMUWOJKRSA-N |
Product Overview
Toluene-d7 (CAS 2154-55-4), with molecular formula C7H8 and molecular weight 99.11 g/mol. IUPAC: 1,2,3,4,5-pentadeuterio-6-(dideuteriomethyl)benzene.
Chemical Property Profile of Toluene-d7
Property Insights of Toluene-d7
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Toluene-d7. With a topological polar surface area (TPSA) of 0.0 Ų, Toluene-d7 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Toluene-d7 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 Toluene-d7?
The CAS number of Toluene-d7 is 2154-55-4.
What is the molecular formula of Toluene-d7?
The molecular formula of Toluene-d7 is C7H8.
What is the molecular weight of Toluene-d7?
The molecular weight of Toluene-d7 is 99.11 g/mol.
Where can I buy Toluene-d7?
You can request a quote for Toluene-d7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Toluene-d7?
Yes, KEHONG BIO provides custom synthesis services for Toluene-d7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.