Benzo(a)pyrene, 1,3,6-trimethyl-
TL;DR: Benzo(a)pyrene, 1,3,6-trimethyl- (CAS 16757-92-9) 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.
1,3,6-trimethylbenzo[a]pyrene
Also Known As: 1,3,6-trimethylbenzo[a]pyrene, 1,3,6-Trimethylbenzo(a)pyrene, BENZO(a)PYRENE, 1,3,6-TRIMETHYL-, 1,3,6-trimethylbenzo[ a]pyrene, 1,3,6-Trimethylbenzo[pqr]tetraphene
| Molecular Formula | C23H18 |
|---|---|
| Molecular Weight | 294.14 g/mol |
| LogP | 7.4 |
| 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 | 16757-92-9 |
|---|---|
| SMILES | CC1=CC(=C2C=CC3=C4C2=C1C=CC4=C(C5=CC=CC=C35)C)C |
| InChIKey | BZBLXOWOIQZQPM-UHFFFAOYSA-N |
Product Overview
Benzo(a)pyrene, 1,3,6-trimethyl- (CAS 16757-92-9), with molecular formula C23H18 and molecular weight 294.14 g/mol. IUPAC: 1,3,6-trimethylbenzo[a]pyrene.
Chemical Property Profile of Benzo(a)pyrene, 1,3,6-trimethyl-
Property Insights of Benzo(a)pyrene, 1,3,6-trimethyl-
The XLogP value of 7.4 indicates that Benzo(a)pyrene, 1,3,6-trimethyl- 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, 1,3,6-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(a)pyrene, 1,3,6-trimethyl- 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, 1,3,6-trimethyl-?
The CAS number of Benzo(a)pyrene, 1,3,6-trimethyl- is 16757-92-9.
What is the molecular formula of Benzo(a)pyrene, 1,3,6-trimethyl-?
The molecular formula of Benzo(a)pyrene, 1,3,6-trimethyl- is C23H18.
What is the molecular weight of Benzo(a)pyrene, 1,3,6-trimethyl-?
The molecular weight of Benzo(a)pyrene, 1,3,6-trimethyl- is 294.14 g/mol.
Where can I buy Benzo(a)pyrene, 1,3,6-trimethyl-?
You can request a quote for Benzo(a)pyrene, 1,3,6-trimethyl- 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, 1,3,6-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(a)pyrene, 1,3,6-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.