Benz(a)anthracene, 7-(chloromethyl)-2-methoxy-12-methyl-
TL;DR: Benz(a)anthracene, 7-(chloromethyl)-2-methoxy-12-methyl- (CAS 88217-01-0) is a chemical compound with molecular formula C21H17ClO and molecular weight 320.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(chloromethyl)-2-methoxy-12-methylbenzo[a]anthracene
Also Known As: 7-(Chloromethyl)-2-methoxy-12-methylbenz(a)anthracene, Benz(a)anthracene, 7-(chloromethyl)-2-methoxy-12-methyl-, 7-(chloromethyl)-2-methoxy-12-methylbenzo[a]anthracene, 7-(CHLOROMETHYL)-2-METHOXY-12-METHYLTETRAPHENE
| Molecular Formula | C21H17ClO |
|---|---|
| Molecular Weight | 320.10 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.0968 |
| Heavy Atoms | 23 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 88217-01-0 |
|---|---|
| SMILES | CC1=C2C(=C(C3=CC=CC=C13)CCl)C=CC4=C2C=C(C=C4)OC |
| InChIKey | SSYMJCSNLYUPFU-UHFFFAOYSA-N |
Product Overview
Benz(a)anthracene, 7-(chloromethyl)-2-methoxy-12-methyl- (CAS 88217-01-0), with molecular formula C21H17ClO and molecular weight 320.10 g/mol. IUPAC: 7-(chloromethyl)-2-methoxy-12-methylbenzo[a]anthracene.
Chemical Property Profile of Benz(a)anthracene, 7-(chloromethyl)-2-methoxy-12-methyl-
Property Insights of Benz(a)anthracene, 7-(chloromethyl)-2-methoxy-12-methyl-
The XLogP value of 5.8 indicates that Benz(a)anthracene, 7-(chloromethyl)-2-methoxy-12-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Benz(a)anthracene, 7-(chloromethyl)-2-methoxy-12-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benz(a)anthracene, 7-(chloromethyl)-2-methoxy-12-methyl- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benz(a)anthracene, 7-(chloromethyl)-2-methoxy-12-methyl-?
The CAS number of Benz(a)anthracene, 7-(chloromethyl)-2-methoxy-12-methyl- is 88217-01-0.
What is the molecular formula of Benz(a)anthracene, 7-(chloromethyl)-2-methoxy-12-methyl-?
The molecular formula of Benz(a)anthracene, 7-(chloromethyl)-2-methoxy-12-methyl- is C21H17ClO.
What is the molecular weight of Benz(a)anthracene, 7-(chloromethyl)-2-methoxy-12-methyl-?
The molecular weight of Benz(a)anthracene, 7-(chloromethyl)-2-methoxy-12-methyl- is 320.10 g/mol.
Where can I buy Benz(a)anthracene, 7-(chloromethyl)-2-methoxy-12-methyl-?
You can request a quote for Benz(a)anthracene, 7-(chloromethyl)-2-methoxy-12-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benz(a)anthracene, 7-(chloromethyl)-2-methoxy-12-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benz(a)anthracene, 7-(chloromethyl)-2-methoxy-12-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.