![1,4-Dimethylbenzo[a]pyrene structure](/static/products/1675/16757-88-3.webp)
1,4-Dimethylbenzo[a]pyrene
TL;DR: 1,4-Dimethylbenzo[a]pyrene (CAS 16757-88-3) is a chemical compound with molecular formula C22H16 and molecular weight 280.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dimethylbenzo[a]pyrene
Also Known As: 1,4-dimethylbenzo[a]pyrene, 1,4-Dimethylbenzo(a)pyrene, BENZO(a)PYRENE, 1,4-DIMETHYL-, 1,4-dimethyl-benzo[def]chrysene, Benzo[a]pyrene, 1,4-dimethyl-
| Molecular Formula | C22H16 |
|---|---|
| Molecular Weight | 280.13 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 280.1252 |
| Heavy Atoms | 22 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 16757-88-3 |
|---|---|
| SMILES | CC1=C2C=CC3=C4C2=C(C=C1)C(=CC4=CC5=CC=CC=C35)C |
| InChIKey | COUWIODFWWMEFK-UHFFFAOYSA-N |
Product Overview
1,4-Dimethylbenzo[a]pyrene (CAS 16757-88-3), with molecular formula C22H16 and molecular weight 280.13 g/mol. IUPAC: 1,4-dimethylbenzo[a]pyrene.
Chemical Property Profile of 1,4-Dimethylbenzo[a]pyrene
Property Insights of 1,4-Dimethylbenzo[a]pyrene
The XLogP value of 6.7 indicates that 1,4-Dimethylbenzo[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, 1,4-Dimethylbenzo[a]pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dimethylbenzo[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 1,4-Dimethylbenzo[a]pyrene?
The CAS number of 1,4-Dimethylbenzo[a]pyrene is 16757-88-3.
What is the molecular formula of 1,4-Dimethylbenzo[a]pyrene?
The molecular formula of 1,4-Dimethylbenzo[a]pyrene is C22H16.
What is the molecular weight of 1,4-Dimethylbenzo[a]pyrene?
The molecular weight of 1,4-Dimethylbenzo[a]pyrene is 280.13 g/mol.
Where can I buy 1,4-Dimethylbenzo[a]pyrene?
You can request a quote for 1,4-Dimethylbenzo[a]pyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dimethylbenzo[a]pyrene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dimethylbenzo[a]pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.