N-(5-Hydroxybenzo(a)pyren-4-yl)acetamide
TL;DR: N-(5-Hydroxybenzo(a)pyren-4-yl)acetamide (CAS 129414-04-6) is a chemical compound with molecular formula C22H15NO2 and molecular weight 325.1103 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(5-hydroxybenzo[a]pyren-4-yl)acetamide
Also Known As: N-(5-Hydroxybenzo(a)pyren-4-yl)acetamide, N-(5-hydroxybenzo[a]pyren-4-yl)acetamide, n-(5-hydroxybenzo[pqr]tetraphen-4-yl)acetamide, Acetamide, N-(5-hydroxybenzo(a)pyren-4-yl)-, N-(5-Hydroxybenzo[pqr]tetraphen-4-yl)ethanimidic acid
Technical Specifications
| Molecular Formula | C22H15NO2 |
| Molecular Weight | 325.1103 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 325.1103 Da |
| Heavy Atoms | 25 |
| Complexity | 534.0 |
| SMILES | CC(=O)NC1=C(C2=CC3=CC=CC=C3C4=C2C5=C(C=CC=C51)C=C4)O |
| InChIKey | CGVDLHRSVYTJKP-UHFFFAOYSA-N |
Chemical Property Profile of N-(5-Hydroxybenzo(a)pyren-4-yl)acetamide
Property Insights of N-(5-Hydroxybenzo(a)pyren-4-yl)acetamide
The XLogP value of 4.8 indicates that N-(5-Hydroxybenzo(a)pyren-4-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.3 Ų, N-(5-Hydroxybenzo(a)pyren-4-yl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(5-Hydroxybenzo(a)pyren-4-yl)acetamide has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(5-Hydroxybenzo(a)pyren-4-yl)acetamide?
The CAS number of N-(5-Hydroxybenzo(a)pyren-4-yl)acetamide is 129414-04-6.
What is the molecular formula of N-(5-Hydroxybenzo(a)pyren-4-yl)acetamide?
The molecular formula of N-(5-Hydroxybenzo(a)pyren-4-yl)acetamide is C22H15NO2.
What is the molecular weight of N-(5-Hydroxybenzo(a)pyren-4-yl)acetamide?
The molecular weight of N-(5-Hydroxybenzo(a)pyren-4-yl)acetamide is 325.1103 g/mol.
Where can I buy N-(5-Hydroxybenzo(a)pyren-4-yl)acetamide?
You can request a quote for N-(5-Hydroxybenzo(a)pyren-4-yl)acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(5-Hydroxybenzo(a)pyren-4-yl)acetamide?
Yes, CoreyChem provides custom synthesis services for N-(5-Hydroxybenzo(a)pyren-4-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.