N-(5,9-二羟基苯并(a)芘-4-基)乙酰胺
TL;DR: N-(5,9-二羟基苯并(a)芘-4-基)乙酰胺 (CAS 113668-48-7) is a chemical compound with molecular formula C22H15NO3 and molecular weight 341.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5,9-二羟基苯并(a)芘-4-基)乙酰胺
N-(5,9-dihydroxybenzo[a]pyren-4-yl)acetamide
Also Known As: N-(5,9-Dihydroxybenzo(a)pyren-4-yl)acetamide, N-(5,9-dihydroxybenzo[a]pyren-4-yl)acetamide, n-(5,9-dihydroxybenzo[pqr]tetraphen-4-yl)acetamide, 4-(N-Acetylamino)benzo(a)pyrene-5,9-hydroquinone, Acetamide, N-(5,9-dihydroxybenzo(a)pyren-4-yl)-
| Molecular Formula | C22H15NO3 |
|---|---|
| Molecular Weight | 341.11 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 341.1052 |
| Heavy Atoms | 26 |
| Complexity | 566.0 |
Chemical Identifiers
| CAS Number | 113668-48-7 |
|---|---|
| SMILES | CC(=O)NC1=C(C2=C3C(=C4C=C(C=CC4=C2)O)C=CC5=C3C1=CC=C5)O |
| InChIKey | SPMUYAMMBUFSDH-UHFFFAOYSA-N |
Product Overview
N-(5,9-二羟基苯并(a)芘-4-基)乙酰胺 (CAS 113668-48-7), with molecular formula C22H15NO3 and molecular weight 341.11 g/mol. IUPAC: N-(5,9-dihydroxybenzo[a]pyren-4-yl)acetamide.
Chemical Property Profile of N-(5,9-二羟基苯并(a)芘-4-基)乙酰胺
Property Insights of N-(5,9-二羟基苯并(a)芘-4-基)乙酰胺
The XLogP value of 4.7 indicates that N-(5,9-二羟基苯并(a)芘-4-基)乙酰胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5,9-二羟基苯并(a)芘-4-基)乙酰胺. Following Lipinski's Rule of Five, N-(5,9-二羟基苯并(a)芘-4-基)乙酰胺 has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(5,9-二羟基苯并(a)芘-4-基)乙酰胺?
The CAS number of N-(5,9-二羟基苯并(a)芘-4-基)乙酰胺 is 113668-48-7.
What is the molecular formula of N-(5,9-二羟基苯并(a)芘-4-基)乙酰胺?
The molecular formula of N-(5,9-二羟基苯并(a)芘-4-基)乙酰胺 is C22H15NO3.
What is the molecular weight of N-(5,9-二羟基苯并(a)芘-4-基)乙酰胺?
The molecular weight of N-(5,9-二羟基苯并(a)芘-4-基)乙酰胺 is 341.11 g/mol.
Where can I buy N-(5,9-二羟基苯并(a)芘-4-基)乙酰胺?
You can request a quote for N-(5,9-二羟基苯并(a)芘-4-基)乙酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5,9-二羟基苯并(a)芘-4-基)乙酰胺?
Yes, KEHONG BIO provides custom synthesis services for N-(5,9-二羟基苯并(a)芘-4-基)乙酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.