1,2-Benzenediol, 3-pentadecyl-, 1,2-diacetate
TL;DR: 1,2-Benzenediol, 3-pentadecyl-, 1,2-diacetate (CAS 73881-19-3) is a chemical compound with molecular formula C25H40O4 and molecular weight 404.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetyloxy-3-pentadecylphenyl) acetate
Also Known As: 3-Pentadecacatechol diacetate, 3-n-Pentadecylcatechol diacetate, (2-acetyloxy-3-pentadecylphenyl) acetate, 3-Pentadecyl-1,2-phenylene diacetate, 1,2-Benzenediol, 3-pentadecyl-, diacetate
| Molecular Formula | C25H40O4 |
|---|---|
| Molecular Weight | 404.29 g/mol |
| LogP | 9.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 404.29266 |
| Heavy Atoms | 29 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 73881-19-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OC(=O)C)OC(=O)C |
| InChIKey | WKMKNJONVCLNHA-UHFFFAOYSA-N |
Product Overview
1,2-Benzenediol, 3-pentadecyl-, 1,2-diacetate (CAS 73881-19-3), with molecular formula C25H40O4 and molecular weight 404.29 g/mol. IUPAC: (2-acetyloxy-3-pentadecylphenyl) acetate.
Chemical Property Profile of 1,2-Benzenediol, 3-pentadecyl-, 1,2-diacetate
Property Insights of 1,2-Benzenediol, 3-pentadecyl-, 1,2-diacetate
The XLogP value of 9.3 indicates that 1,2-Benzenediol, 3-pentadecyl-, 1,2-diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,2-Benzenediol, 3-pentadecyl-, 1,2-diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzenediol, 3-pentadecyl-, 1,2-diacetate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2-Benzenediol, 3-pentadecyl-, 1,2-diacetate?
The CAS number of 1,2-Benzenediol, 3-pentadecyl-, 1,2-diacetate is 73881-19-3.
What is the molecular formula of 1,2-Benzenediol, 3-pentadecyl-, 1,2-diacetate?
The molecular formula of 1,2-Benzenediol, 3-pentadecyl-, 1,2-diacetate is C25H40O4.
What is the molecular weight of 1,2-Benzenediol, 3-pentadecyl-, 1,2-diacetate?
The molecular weight of 1,2-Benzenediol, 3-pentadecyl-, 1,2-diacetate is 404.29 g/mol.
Where can I buy 1,2-Benzenediol, 3-pentadecyl-, 1,2-diacetate?
You can request a quote for 1,2-Benzenediol, 3-pentadecyl-, 1,2-diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzenediol, 3-pentadecyl-, 1,2-diacetate?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenediol, 3-pentadecyl-, 1,2-diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.