7-(Benzo(a)pyren-6-yl)adenine
TL;DR: 7-(Benzo(a)pyren-6-yl)adenine (CAS 139428-50-5) is a chemical compound with molecular formula C25H15N5 and molecular weight 385.13275 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-benzo[b]pyren-6-ylpurin-6-amine
Also Known As: BP-6-N7Ade, 7-(Benzo(a)pyren-6-yl)adenine, 7-benzo[b]pyren-6-ylpurin-6-amine, 7H-Purin-6-amine, 7-benzo(a)pyren-6-yl-, 6-(6-Amino-7H-purine-7-yl)benzo[a]pyrene
Technical Specifications
| Molecular Formula | C25H15N5 |
| Molecular Weight | 385.13275 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 69.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 385.13275 Da |
| Heavy Atoms | 30 |
| Complexity | 655.0 |
| SMILES | C1=CC=C2C(=C1)C3=C4C(=C2N5C=NC6=NC=NC(=C65)N)C=CC7=CC=CC(=C74)C=C3 |
| InChIKey | INOYRHNOOQSMLK-UHFFFAOYSA-N |
Chemical Property Profile of 7-(Benzo(a)pyren-6-yl)adenine
Property Insights of 7-(Benzo(a)pyren-6-yl)adenine
The XLogP value of 5.7 indicates that 7-(Benzo(a)pyren-6-yl)adenine 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 7-(Benzo(a)pyren-6-yl)adenine. Following Lipinski's Rule of Five, 7-(Benzo(a)pyren-6-yl)adenine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 7-(Benzo(a)pyren-6-yl)adenine?
The CAS number of 7-(Benzo(a)pyren-6-yl)adenine is 139428-50-5.
What is the molecular formula of 7-(Benzo(a)pyren-6-yl)adenine?
The molecular formula of 7-(Benzo(a)pyren-6-yl)adenine is C25H15N5.
What is the molecular weight of 7-(Benzo(a)pyren-6-yl)adenine?
The molecular weight of 7-(Benzo(a)pyren-6-yl)adenine is 385.13275 g/mol.
Where can I buy 7-(Benzo(a)pyren-6-yl)adenine?
You can request a quote for 7-(Benzo(a)pyren-6-yl)adenine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-(Benzo(a)pyren-6-yl)adenine?
Yes, CoreyChem provides custom synthesis services for 7-(Benzo(a)pyren-6-yl)adenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.