4,5-Dimethyl-3-pentadecylcatechol
TL;DR: 4,5-Dimethyl-3-pentadecylcatechol (CAS 7771-22-4) is a chemical compound with molecular formula C23H40O2 and molecular weight 348.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethyl-3-pentadecylbenzene-1,2-diol
Also Known As: 4,5-Dimethyl-3-pentadecylcatechol, 4,5-dimethyl-3-pentadecylbenzene-1,2-diol, 3-Pentadecyl-4,5-dimethylbrenzcatechin, 1,2-Benzenediol, 4,5-dimethyl-3-pentadecyl-, RefChem:96534
| Molecular Formula | C23H40O2 |
|---|---|
| Molecular Weight | 348.30 g/mol |
| LogP | 9.8 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 14 |
| Exact Mass | 348.30283 |
| Heavy Atoms | 25 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 7771-22-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC1=C(C(=CC(=C1O)O)C)C |
| InChIKey | DZZNTAFGDRMQPQ-UHFFFAOYSA-N |
Product Overview
4,5-Dimethyl-3-pentadecylcatechol (CAS 7771-22-4), with molecular formula C23H40O2 and molecular weight 348.30 g/mol. IUPAC: 4,5-dimethyl-3-pentadecylbenzene-1,2-diol.
Chemical Property Profile of 4,5-Dimethyl-3-pentadecylcatechol
Property Insights of 4,5-Dimethyl-3-pentadecylcatechol
The XLogP value of 9.8 indicates that 4,5-Dimethyl-3-pentadecylcatechol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 4,5-Dimethyl-3-pentadecylcatechol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dimethyl-3-pentadecylcatechol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,5-Dimethyl-3-pentadecylcatechol?
The CAS number of 4,5-Dimethyl-3-pentadecylcatechol is 7771-22-4.
What is the molecular formula of 4,5-Dimethyl-3-pentadecylcatechol?
The molecular formula of 4,5-Dimethyl-3-pentadecylcatechol is C23H40O2.
What is the molecular weight of 4,5-Dimethyl-3-pentadecylcatechol?
The molecular weight of 4,5-Dimethyl-3-pentadecylcatechol is 348.30 g/mol.
Where can I buy 4,5-Dimethyl-3-pentadecylcatechol?
You can request a quote for 4,5-Dimethyl-3-pentadecylcatechol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dimethyl-3-pentadecylcatechol?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dimethyl-3-pentadecylcatechol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.