Benzo(a)pyrene, 10-(chloromethyl)-
TL;DR: Benzo(a)pyrene, 10-(chloromethyl)- (CAS 86803-19-2) is a chemical compound with molecular formula C21H13Cl and molecular weight 300.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(chloromethyl)benzo[a]pyrene
Also Known As: 10-Chloromethylbenzo(a)pyrene, BENZO(a)PYRENE, 10-(CHLOROMETHYL)-, 10-(chloromethyl)benzo[a]pyrene, 10-CHLOROMETHYLBENZO[A]PYRENE, 10-(chloromethyl)benzo[pqr]tetraphene
| Molecular Formula | C21H13Cl |
|---|---|
| Molecular Weight | 300.07 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 300.0706 |
| Heavy Atoms | 22 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 86803-19-2 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=C5C(=CC(=C43)C=C2)C=CC=C5CCl |
| InChIKey | PNZXMMLNLREHOK-UHFFFAOYSA-N |
Product Overview
Benzo(a)pyrene, 10-(chloromethyl)- (CAS 86803-19-2), with molecular formula C21H13Cl and molecular weight 300.07 g/mol. IUPAC: 10-(chloromethyl)benzo[a]pyrene.
Chemical Property Profile of Benzo(a)pyrene, 10-(chloromethyl)-
Property Insights of Benzo(a)pyrene, 10-(chloromethyl)-
The XLogP value of 6.7 indicates that Benzo(a)pyrene, 10-(chloromethyl)- 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, 10-(chloromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(a)pyrene, 10-(chloromethyl)- 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, 10-(chloromethyl)-?
The CAS number of Benzo(a)pyrene, 10-(chloromethyl)- is 86803-19-2.
What is the molecular formula of Benzo(a)pyrene, 10-(chloromethyl)-?
The molecular formula of Benzo(a)pyrene, 10-(chloromethyl)- is C21H13Cl.
What is the molecular weight of Benzo(a)pyrene, 10-(chloromethyl)-?
The molecular weight of Benzo(a)pyrene, 10-(chloromethyl)- is 300.07 g/mol.
Where can I buy Benzo(a)pyrene, 10-(chloromethyl)-?
You can request a quote for Benzo(a)pyrene, 10-(chloromethyl)- 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, 10-(chloromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(a)pyrene, 10-(chloromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.