4,5,7-Trimethylbenzo(a)pyrene
TL;DR: 4,5,7-Trimethylbenzo(a)pyrene (CAS 72496-73-2) is a chemical compound with molecular formula C23H18 and molecular weight 294.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,7-trimethylbenzo[a]pyrene
Also Known As: 4,5,7-Trimethylbenzo(a)pyrene, Benzo(a)pyrene, 4,5,7-trimethyl-, 4,5,7-trimethylbenzo[a]pyrene, 4,5,7-Trimethylbenzo[pqr]tetraphene
| Molecular Formula | C23H18 |
|---|---|
| Molecular Weight | 294.14 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 294.14084 |
| Heavy Atoms | 23 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 72496-73-2 |
|---|---|
| SMILES | CC1=C2C=C3C(=C(C4=CC=CC5=C4C3=C(C2=CC=C1)C=C5)C)C |
| InChIKey | OYXGYLDUBZTBLE-UHFFFAOYSA-N |
Product Overview
4,5,7-Trimethylbenzo(a)pyrene (CAS 72496-73-2), with molecular formula C23H18 and molecular weight 294.14 g/mol. IUPAC: 4,5,7-trimethylbenzo[a]pyrene.
Chemical Property Profile of 4,5,7-Trimethylbenzo(a)pyrene
Property Insights of 4,5,7-Trimethylbenzo(a)pyrene
The XLogP value of 7.1 indicates that 4,5,7-Trimethylbenzo(a)pyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4,5,7-Trimethylbenzo(a)pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,7-Trimethylbenzo(a)pyrene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,5,7-Trimethylbenzo(a)pyrene?
The CAS number of 4,5,7-Trimethylbenzo(a)pyrene is 72496-73-2.
What is the molecular formula of 4,5,7-Trimethylbenzo(a)pyrene?
The molecular formula of 4,5,7-Trimethylbenzo(a)pyrene is C23H18.
What is the molecular weight of 4,5,7-Trimethylbenzo(a)pyrene?
The molecular weight of 4,5,7-Trimethylbenzo(a)pyrene is 294.14 g/mol.
Where can I buy 4,5,7-Trimethylbenzo(a)pyrene?
You can request a quote for 4,5,7-Trimethylbenzo(a)pyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5,7-Trimethylbenzo(a)pyrene?
Yes, KEHONG BIO provides custom synthesis services for 4,5,7-Trimethylbenzo(a)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.