3,5-二异丙基-2,6-二甲基苯甲酸
TL;DR: 3,5-二异丙基-2,6-二甲基苯甲酸 (CAS 18354-27-3) is a chemical compound with molecular formula C15H22O2 and molecular weight 234.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-二异丙基-2,6-二甲基苯甲酸
2,6-dimethyl-3,5-di(propan-2-yl)benzoic acid
Also Known As: 3,5-Diisopropyl-2,6-dimethylbenzoic acid, 2,6-dimethyl-3,5-di(propan-2-yl)benzoic acid, BENZOIC ACID, 3,5-DIISOPROPYL-2,6-DIMETHYL-, 2,6-dimethyl-3,5-bis(propan-2-yl)benzoic acid, RefChem:1079047
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 18354-27-3 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1C(C)C)C(C)C)C)C(=O)O |
| InChIKey | CKZVJRAHZOBJTJ-UHFFFAOYSA-N |
Product Overview
3,5-二异丙基-2,6-二甲基苯甲酸 (CAS 18354-27-3), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: 2,6-dimethyl-3,5-di(propan-2-yl)benzoic acid.
Chemical Property Profile of 3,5-二异丙基-2,6-二甲基苯甲酸
Property Insights of 3,5-二异丙基-2,6-二甲基苯甲酸
The XLogP value of 4.4 indicates that 3,5-二异丙基-2,6-二甲基苯甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3,5-二异丙基-2,6-二甲基苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-二异丙基-2,6-二甲基苯甲酸 has 1 hydrogen bond donor(s) and 2 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 3,5-二异丙基-2,6-二甲基苯甲酸?
The CAS number of 3,5-二异丙基-2,6-二甲基苯甲酸 is 18354-27-3.
What is the molecular formula of 3,5-二异丙基-2,6-二甲基苯甲酸?
The molecular formula of 3,5-二异丙基-2,6-二甲基苯甲酸 is C15H22O2.
What is the molecular weight of 3,5-二异丙基-2,6-二甲基苯甲酸?
The molecular weight of 3,5-二异丙基-2,6-二甲基苯甲酸 is 234.16 g/mol.
Where can I buy 3,5-二异丙基-2,6-二甲基苯甲酸?
You can request a quote for 3,5-二异丙基-2,6-二甲基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-二异丙基-2,6-二甲基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3,5-二异丙基-2,6-二甲基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.