Benzo(a)pyrene, 4,5-dimethyl-
TL;DR: Benzo(a)pyrene, 4,5-dimethyl- (CAS 16757-89-4) 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.
4,5-dimethylbenzo[a]pyrene
Also Known As: 4,5-dimethylbenzo[a]pyrene, 4,5-Dimethylbenzo(a)pyrene, 4,5-dimethyl-benzo[a]pyrene, BENZO(a)PYRENE, 4,5-DIMETHYL-, 4,5-dimethylbenzo[def]chrysene
| 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 | 16757-89-4 |
|---|---|
| SMILES | CC1=C(C2=CC3=CC=CC=C3C4=C2C5=C(C=CC=C15)C=C4)C |
| InChIKey | KWYWGXYFWOWWTF-UHFFFAOYSA-N |
Product Overview
Benzo(a)pyrene, 4,5-dimethyl- (CAS 16757-89-4), with molecular formula C22H16 and molecular weight 280.13 g/mol. IUPAC: 4,5-dimethylbenzo[a]pyrene.
Chemical Property Profile of Benzo(a)pyrene, 4,5-dimethyl-
Property Insights of Benzo(a)pyrene, 4,5-dimethyl-
The XLogP value of 6.7 indicates that Benzo(a)pyrene, 4,5-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzo(a)pyrene, 4,5-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(a)pyrene, 4,5-dimethyl- 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 Benzo(a)pyrene, 4,5-dimethyl-?
The CAS number of Benzo(a)pyrene, 4,5-dimethyl- is 16757-89-4.
What is the molecular formula of Benzo(a)pyrene, 4,5-dimethyl-?
The molecular formula of Benzo(a)pyrene, 4,5-dimethyl- is C22H16.
What is the molecular weight of Benzo(a)pyrene, 4,5-dimethyl-?
The molecular weight of Benzo(a)pyrene, 4,5-dimethyl- is 280.13 g/mol.
Where can I buy Benzo(a)pyrene, 4,5-dimethyl-?
You can request a quote for Benzo(a)pyrene, 4,5-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(a)pyrene, 4,5-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(a)pyrene, 4,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.