苯并(a)蒽-7-二甲醇二乙酸酯
TL;DR: 苯并(a)蒽-7-二甲醇二乙酸酯 (CAS 17012-91-8) is a chemical compound with molecular formula C23H18O4 and molecular weight 358.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯并(a)蒽-7-二甲醇二乙酸酯
[acetyloxy(benzo[a]anthracen-7-yl)methyl] acetate
Also Known As: Dimethyl dodecanedioate, 7-Diacetoxymethylbenz(a)anthracene, Benz(a)anthracene-7-methanediol, diacetate, tetraphen-7-ylmethanediyl diacetate, (Tetraphen-7-yl)methylene diacetate
| Molecular Formula | C23H18O4 |
|---|---|
| Molecular Weight | 358.12 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.1205 |
| Heavy Atoms | 27 |
| Complexity | 543.0 |
Chemical Identifiers
| CAS Number | 17012-91-8 |
|---|---|
| SMILES | CC(=O)OC(C1=C2C=CC3=CC=CC=C3C2=CC4=CC=CC=C41)OC(=O)C |
| InChIKey | LRTXBMQWXYFKCR-UHFFFAOYSA-N |
Product Overview
苯并(a)蒽-7-二甲醇二乙酸酯 (CAS 17012-91-8), with molecular formula C23H18O4 and molecular weight 358.12 g/mol. IUPAC: [acetyloxy(benzo[a]anthracen-7-yl)methyl] acetate.
Chemical Property Profile of 苯并(a)蒽-7-二甲醇二乙酸酯
Property Insights of 苯并(a)蒽-7-二甲醇二乙酸酯
The XLogP value of 5.4 indicates that 苯并(a)蒽-7-二甲醇二乙酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 苯并(a)蒽-7-二甲醇二乙酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯并(a)蒽-7-二甲醇二乙酸酯 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 苯并(a)蒽-7-二甲醇二乙酸酯?
The CAS number of 苯并(a)蒽-7-二甲醇二乙酸酯 is 17012-91-8.
What is the molecular formula of 苯并(a)蒽-7-二甲醇二乙酸酯?
The molecular formula of 苯并(a)蒽-7-二甲醇二乙酸酯 is C23H18O4.
What is the molecular weight of 苯并(a)蒽-7-二甲醇二乙酸酯?
The molecular weight of 苯并(a)蒽-7-二甲醇二乙酸酯 is 358.12 g/mol.
Where can I buy 苯并(a)蒽-7-二甲醇二乙酸酯?
You can request a quote for 苯并(a)蒽-7-二甲醇二乙酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯并(a)蒽-7-二甲醇二乙酸酯?
Yes, KEHONG BIO provides custom synthesis services for 苯并(a)蒽-7-二甲醇二乙酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.