2-(Chloromethyl)benzo(a)pyrene
TL;DR: 2-(Chloromethyl)benzo(a)pyrene (CAS 123358-36-1) 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.
2-(chloromethyl)benzo[a]pyrene
Also Known As: 2-(Chloromethyl)benzo(a)pyrene, 2-(chloromethyl)benzo[a]pyrene, Benzo(a)pyrene, 2-(chloromethyl)-, 2-(Chloromethyl)benzo[pqr]tetraphene
| Molecular Formula | C21H13Cl |
|---|---|
| Molecular Weight | 300.07 g/mol |
| LogP | 6.4 |
| 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 | 123358-36-1 |
|---|---|
| SMILES | C1=CC=C2C3=C4C(=CC2=C1)C=CC5=CC(=CC(=C54)C=C3)CCl |
| InChIKey | RQHMCVRDORTVRM-UHFFFAOYSA-N |
Product Overview
2-(Chloromethyl)benzo(a)pyrene (CAS 123358-36-1), with molecular formula C21H13Cl and molecular weight 300.07 g/mol. IUPAC: 2-(chloromethyl)benzo[a]pyrene.
Chemical Property Profile of 2-(Chloromethyl)benzo(a)pyrene
Property Insights of 2-(Chloromethyl)benzo(a)pyrene
The XLogP value of 6.4 indicates that 2-(Chloromethyl)benzo(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, 2-(Chloromethyl)benzo(a)pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Chloromethyl)benzo(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 2-(Chloromethyl)benzo(a)pyrene?
The CAS number of 2-(Chloromethyl)benzo(a)pyrene is 123358-36-1.
What is the molecular formula of 2-(Chloromethyl)benzo(a)pyrene?
The molecular formula of 2-(Chloromethyl)benzo(a)pyrene is C21H13Cl.
What is the molecular weight of 2-(Chloromethyl)benzo(a)pyrene?
The molecular weight of 2-(Chloromethyl)benzo(a)pyrene is 300.07 g/mol.
Where can I buy 2-(Chloromethyl)benzo(a)pyrene?
You can request a quote for 2-(Chloromethyl)benzo(a)pyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Chloromethyl)benzo(a)pyrene?
Yes, KEHONG BIO provides custom synthesis services for 2-(Chloromethyl)benzo(a)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.