BENZO(a)PYRENE, 5-(CHLOROMETHYL)-
TL;DR: BENZO(a)PYRENE, 5-(CHLOROMETHYL)- (CAS 29852-26-4) 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.
5-(chloromethyl)benzo[a]pyrene
Also Known As: 5-Chloromethylbenzo(a)pyrene, 5-(chloromethyl)benzo[a]pyrene, BENZO(a)PYRENE, 5-(CHLOROMETHYL)-, 5-CHLOROMETHYLBENZO[A]PYRENE, 5-(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 | 29852-26-4 |
|---|---|
| SMILES | C1=CC=C2C3=C4C(=CC2=C1)C(=CC5=CC=CC(=C54)C=C3)CCl |
| InChIKey | WFAJDSVQAGXSMA-UHFFFAOYSA-N |
Product Overview
BENZO(a)PYRENE, 5-(CHLOROMETHYL)- (CAS 29852-26-4), with molecular formula C21H13Cl and molecular weight 300.07 g/mol. IUPAC: 5-(chloromethyl)benzo[a]pyrene.
Chemical Property Profile of BENZO(a)PYRENE, 5-(CHLOROMETHYL)-
Property Insights of BENZO(a)PYRENE, 5-(CHLOROMETHYL)-
The XLogP value of 6.4 indicates that BENZO(a)PYRENE, 5-(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, 5-(CHLOROMETHYL)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BENZO(a)PYRENE, 5-(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, 5-(CHLOROMETHYL)-?
The CAS number of BENZO(a)PYRENE, 5-(CHLOROMETHYL)- is 29852-26-4.
What is the molecular formula of BENZO(a)PYRENE, 5-(CHLOROMETHYL)-?
The molecular formula of BENZO(a)PYRENE, 5-(CHLOROMETHYL)- is C21H13Cl.
What is the molecular weight of BENZO(a)PYRENE, 5-(CHLOROMETHYL)-?
The molecular weight of BENZO(a)PYRENE, 5-(CHLOROMETHYL)- is 300.07 g/mol.
Where can I buy BENZO(a)PYRENE, 5-(CHLOROMETHYL)-?
You can request a quote for BENZO(a)PYRENE, 5-(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, 5-(CHLOROMETHYL)-?
Yes, KEHONG BIO provides custom synthesis services for BENZO(a)PYRENE, 5-(CHLOROMETHYL)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.