1,3-Dimethyl-5-neopentylbenzene
TL;DR: 1,3-Dimethyl-5-neopentylbenzene (CAS 85688-99-9) is a chemical compound with molecular formula C13H20 and molecular weight 176.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,2-dimethylpropyl)-3,5-dimethylbenzene
Also Known As: 1,3-dimethyl-5-neopentylbenzene, 1-(2,2-dimethylpropyl)-3,5-dimethylbenzene, AE-562/12222038
| Molecular Formula | C13H20 |
|---|---|
| Molecular Weight | 176.16 g/mol |
| LogP | 3.89204 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.1565 |
| Heavy Atoms | 13 |
| Complexity | 269.14688 |
Chemical Identifiers
| CAS Number | 85688-99-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)CC(C)(C)C)C |
Product Overview
1,3-Dimethyl-5-neopentylbenzene (CAS 85688-99-9), with molecular formula C13H20 and molecular weight 176.16 g/mol. IUPAC: 1-(2,2-dimethylpropyl)-3,5-dimethylbenzene.
Chemical Property Profile of 1,3-Dimethyl-5-neopentylbenzene
Property Insights of 1,3-Dimethyl-5-neopentylbenzene
The XLogP value of 3.89204 indicates that 1,3-Dimethyl-5-neopentylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Dimethyl-5-neopentylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethyl-5-neopentylbenzene 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 1,3-Dimethyl-5-neopentylbenzene?
The CAS number of 1,3-Dimethyl-5-neopentylbenzene is 85688-99-9.
What is the molecular formula of 1,3-Dimethyl-5-neopentylbenzene?
The molecular formula of 1,3-Dimethyl-5-neopentylbenzene is C13H20.
What is the molecular weight of 1,3-Dimethyl-5-neopentylbenzene?
The molecular weight of 1,3-Dimethyl-5-neopentylbenzene is 176.16 g/mol.
Where can I buy 1,3-Dimethyl-5-neopentylbenzene?
You can request a quote for 1,3-Dimethyl-5-neopentylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl-5-neopentylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-5-neopentylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.