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苯并[a]蒽-7-乙酸甲酯
TL;DR: 苯并[a]蒽-7-乙酸甲酯 (CAS 63018-40-6) is a chemical compound with molecular formula C21H16O2 and molecular weight 300.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯并[a]蒽-7-乙酸甲酯
methyl 2-benzo[a]anthracen-7-ylacetate
Also Known As: methyl 2-benzo[a]anthracen-7-ylacetate, Benz[a]anthracene-7-acetic Acid Methyl Ester, Methyl Benz[a]anthracene-7-acetate, BENZ(a)ANTHRACEN-7-ACETIC ACID, METHYL ESTER, Methyl (tetraphen-7-yl)acetate
| Molecular Formula | C21H16O2 |
|---|---|
| Molecular Weight | 300.12 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.11502 |
| Heavy Atoms | 23 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 63018-40-6 |
|---|---|
| SMILES | COC(=O)CC1=C2C=CC3=CC=CC=C3C2=CC4=CC=CC=C41 |
| InChIKey | NPXQCYDDEJLMFO-UHFFFAOYSA-N |
Product Overview
苯并[a]蒽-7-乙酸甲酯 (CAS 63018-40-6), with molecular formula C21H16O2 and molecular weight 300.12 g/mol. IUPAC: methyl 2-benzo[a]anthracen-7-ylacetate.
Chemical Property Profile of 苯并[a]蒽-7-乙酸甲酯
Property Insights of 苯并[a]蒽-7-乙酸甲酯
The XLogP value of 5.5 indicates that 苯并(a)蒽-7-乙酸甲酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 苯并[a]蒽-7-乙酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯并(a)蒽-7-乙酸甲酯 has 0 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 苯并(a)蒽-7-乙酸甲酯?
The CAS number of 苯并(a)蒽-7-乙酸甲酯 is 63018-40-6.
What is the molecular formula of 苯并(a)蒽-7-乙酸甲酯?
The molecular formula of 苯并(a)蒽-7-乙酸甲酯 is C21H16O2.
What is the molecular weight of 苯并(a)蒽-7-乙酸甲酯?
The molecular weight of 苯并(a)蒽-7-乙酸甲酯 is 300.12 g/mol.
Where can I buy 苯并(a)蒽-7-乙酸甲酯?
You can request a quote for 苯并(a)蒽-7-乙酸甲酯 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-乙酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 苯并(a)蒽-7-乙酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.