1,4-Benzenediol, (1-methylpentadecyl)(1-methyltridecyl)-
TL;DR: 1,4-Benzenediol, (1-methylpentadecyl)(1-methyltridecyl)- (CAS 63451-53-6) is a chemical compound with molecular formula C36H66O2 and molecular weight 530.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hexadecan-2-yl-5-tetradecan-2-ylbenzene-1,4-diol
Also Known As: (1-Methylpentadecyl)(1-methyltridecyl)hydroquinone, 1,4-Benzenediol, (1-methylpentadecyl)(1-methyltridecyl)-, 2-(hexadecan-2-yl)-5-(tetradecan-2-yl)benzene-1,4-diol, 2-hexadecan-2-yl-5-tetradecan-2-ylbenzene-1,4-diol, EINECS 264-205-9
| Molecular Formula | C36H66O2 |
|---|---|
| Molecular Weight | 530.51 g/mol |
| LogP | 16.5 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 26 |
| Exact Mass | 530.5063 |
| Heavy Atoms | 38 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 63451-53-6 |
|---|---|
| SMILES | CCCCCCCCCCCCCCC(C)C1=C(C=C(C(=C1)O)C(C)CCCCCCCCCCCC)O |
| InChIKey | NLVJTITUNTXJIR-UHFFFAOYSA-N |
Product Overview
1,4-Benzenediol, (1-methylpentadecyl)(1-methyltridecyl)- (CAS 63451-53-6), with molecular formula C36H66O2 and molecular weight 530.51 g/mol. IUPAC: 2-hexadecan-2-yl-5-tetradecan-2-ylbenzene-1,4-diol.
Chemical Property Profile of 1,4-Benzenediol, (1-methylpentadecyl)(1-methyltridecyl)-
Property Insights of 1,4-Benzenediol, (1-methylpentadecyl)(1-methyltridecyl)-
The XLogP value of 16.5 indicates that 1,4-Benzenediol, (1-methylpentadecyl)(1-methyltridecyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 1,4-Benzenediol, (1-methylpentadecyl)(1-methyltridecyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzenediol, (1-methylpentadecyl)(1-methyltridecyl)- 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 1,4-Benzenediol, (1-methylpentadecyl)(1-methyltridecyl)-?
The CAS number of 1,4-Benzenediol, (1-methylpentadecyl)(1-methyltridecyl)- is 63451-53-6.
What is the molecular formula of 1,4-Benzenediol, (1-methylpentadecyl)(1-methyltridecyl)-?
The molecular formula of 1,4-Benzenediol, (1-methylpentadecyl)(1-methyltridecyl)- is C36H66O2.
What is the molecular weight of 1,4-Benzenediol, (1-methylpentadecyl)(1-methyltridecyl)-?
The molecular weight of 1,4-Benzenediol, (1-methylpentadecyl)(1-methyltridecyl)- is 530.51 g/mol.
Where can I buy 1,4-Benzenediol, (1-methylpentadecyl)(1-methyltridecyl)-?
You can request a quote for 1,4-Benzenediol, (1-methylpentadecyl)(1-methyltridecyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzenediol, (1-methylpentadecyl)(1-methyltridecyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenediol, (1-methylpentadecyl)(1-methyltridecyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.