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苯并[e]芘-4-乙酸甲酯
TL;DR: 苯并[e]芘-4-乙酸甲酯 (CAS 113779-19-4) is a chemical compound with molecular formula C23H16O2 and molecular weight 324.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯并[e]芘-4-乙酸甲酯
methyl 2-benzo[e]pyren-4-ylacetate
Also Known As: methyl benzo[e]pyren-4-ylacetate, methyl 2-benzo[e]pyren-4-ylacetate, Benzo(e)pyrene-4-acetic acid, methyl ester, Methyl (benzo[e]pyren-4-yl)acetate, Benzo(e)pyrene-4-acetic acid,methyl ester
| Molecular Formula | C23H16O2 |
|---|---|
| Molecular Weight | 324.12 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.11502 |
| Heavy Atoms | 25 |
| Complexity | 514.0 |
Chemical Identifiers
| CAS Number | 113779-19-4 |
|---|---|
| SMILES | COC(=O)CC1=CC2=C3C(=CC=C2)C4=CC=CC=C4C5=C3C1=CC=C5 |
| InChIKey | RDSORQICYMAIPR-UHFFFAOYSA-N |
Product Overview
苯并[e]芘-4-乙酸甲酯 (CAS 113779-19-4), with molecular formula C23H16O2 and molecular weight 324.12 g/mol. IUPAC: methyl 2-benzo[e]pyren-4-ylacetate.
Chemical Property Profile of 苯并[e]芘-4-乙酸甲酯
Property Insights of 苯并[e]芘-4-乙酸甲酯
The XLogP value of 6.1 indicates that 苯并[e]芘-4-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[e]芘-4-乙酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯并[e]芘-4-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[e]芘-4-乙酸甲酯?
The CAS number of 苯并[e]芘-4-乙酸甲酯 is 113779-19-4.
What is the molecular formula of 苯并[e]芘-4-乙酸甲酯?
The molecular formula of 苯并[e]芘-4-乙酸甲酯 is C23H16O2.
What is the molecular weight of 苯并[e]芘-4-乙酸甲酯?
The molecular weight of 苯并[e]芘-4-乙酸甲酯 is 324.12 g/mol.
Where can I buy 苯并[e]芘-4-乙酸甲酯?
You can request a quote for 苯并[e]芘-4-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[e]芘-4-乙酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 苯并[e]芘-4-乙酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.