1-Methoxy-4-methyl-d3-benzene
TL;DR: 1-Methoxy-4-methyl-d3-benzene (CAS 14202-49-4) is a chemical compound with molecular formula C8H16O and molecular weight 131.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxy-4-(trideuteriomethyl)cyclohexane
Also Known As: 1-Methoxy-4-methyl-d3-benzene, 1-methoxy-4-(trideuteriomethyl)cyclohexane, 4-Methoxytoluene-alpha,alpha,alpha-d3, 1-methoxy-4-(?H?)methylcyclohexane, 1-Methoxy-4-(~2~H_3_)methylcyclohexane
| Molecular Formula | C8H16O |
|---|---|
| Molecular Weight | 131.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 131.13895 |
| Heavy Atoms | 9 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 14202-49-4 |
|---|---|
| SMILES | [2H]C([2H])([2H])C1CCC(CC1)OC |
| InChIKey | VBAPYXHNMYKBKN-FIBGUPNXSA-N |
Product Overview
1-Methoxy-4-methyl-d3-benzene (CAS 14202-49-4), with molecular formula C8H16O and molecular weight 131.14 g/mol. IUPAC: 1-methoxy-4-(trideuteriomethyl)cyclohexane.
Chemical Property Profile of 1-Methoxy-4-methyl-d3-benzene
Property Insights of 1-Methoxy-4-methyl-d3-benzene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methoxy-4-methyl-d3-benzene. With a topological polar surface area (TPSA) of 9.2 Ų, 1-Methoxy-4-methyl-d3-benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methoxy-4-methyl-d3-benzene has 0 hydrogen bond donor(s) and 1 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 1-Methoxy-4-methyl-d3-benzene?
The CAS number of 1-Methoxy-4-methyl-d3-benzene is 14202-49-4.
What is the molecular formula of 1-Methoxy-4-methyl-d3-benzene?
The molecular formula of 1-Methoxy-4-methyl-d3-benzene is C8H16O.
What is the molecular weight of 1-Methoxy-4-methyl-d3-benzene?
The molecular weight of 1-Methoxy-4-methyl-d3-benzene is 131.14 g/mol.
Where can I buy 1-Methoxy-4-methyl-d3-benzene?
You can request a quote for 1-Methoxy-4-methyl-d3-benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methoxy-4-methyl-d3-benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methoxy-4-methyl-d3-benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.