Hexamethylbenzene, deuterated
TL;DR: Hexamethylbenzene, deuterated (CAS 4342-40-9) is a chemical compound with molecular formula C12H18 and molecular weight 162.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4,5,6-hexakis(triprotiomethyl)benzene
Also Known As: Mellitene, Hexamethylbenzene, deuterated, 1,2,3,4,5,6-hexakis(triprotiomethyl)benzene
| Molecular Formula | C12H18 |
|---|---|
| Molecular Weight | 162.14 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.14085 |
| Heavy Atoms | 12 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 4342-40-9 |
|---|---|
| SMILES | [1H]C([1H])([1H])C1=C(C(=C(C(=C1C([1H])([1H])[1H])C([1H])([1H])[1H])C([1H])([1H])[1H])C([1H])([1H])[1H])C([1H])([1H])[1H] |
| InChIKey | YUWFEBAXEOLKSG-JWKYYHOESA-N |
Product Overview
Hexamethylbenzene, deuterated (CAS 4342-40-9), with molecular formula C12H18 and molecular weight 162.14 g/mol. IUPAC: 1,2,3,4,5,6-hexakis(triprotiomethyl)benzene.
Chemical Property Profile of Hexamethylbenzene, deuterated
Property Insights of Hexamethylbenzene, deuterated
The XLogP value of 4.6 indicates that Hexamethylbenzene, deuterated is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Hexamethylbenzene, deuterated exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexamethylbenzene, deuterated 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 Hexamethylbenzene, deuterated?
The CAS number of Hexamethylbenzene, deuterated is 4342-40-9.
What is the molecular formula of Hexamethylbenzene, deuterated?
The molecular formula of Hexamethylbenzene, deuterated is C12H18.
What is the molecular weight of Hexamethylbenzene, deuterated?
The molecular weight of Hexamethylbenzene, deuterated is 162.14 g/mol.
Where can I buy Hexamethylbenzene, deuterated?
You can request a quote for Hexamethylbenzene, deuterated directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexamethylbenzene, deuterated?
Yes, KEHONG BIO provides custom synthesis services for Hexamethylbenzene, deuterated and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.