7-Oxiranyl-12-methylbenz(a)anthracene
TL;DR: 7-Oxiranyl-12-methylbenz(a)anthracene (CAS 61695-77-0) is a chemical compound with molecular formula C21H16O and molecular weight 284.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(12-methylbenzo[a]anthracen-7-yl)oxirane
Also Known As: Oxirane,2-(1-pyrenyl), 7-Oxiranyl-12-methylbenz(a)anthracene, 2-(12-methyltetraphen-7-yl)oxirane, 7-Epoxyethyl-12-methylbenz(a)anthracene, 2-(12-methylbenzo[a]anthracen-7-yl)oxirane
| Molecular Formula | C21H16O |
|---|---|
| Molecular Weight | 284.12 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 284.12012 |
| Heavy Atoms | 22 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 61695-77-0 |
|---|---|
| SMILES | CC1=C2C(=C(C3=CC=CC=C13)C4CO4)C=CC5=CC=CC=C52 |
| InChIKey | CBQFTIPLYIBMDJ-UHFFFAOYSA-N |
Product Overview
7-Oxiranyl-12-methylbenz(a)anthracene (CAS 61695-77-0), with molecular formula C21H16O and molecular weight 284.12 g/mol. IUPAC: 2-(12-methylbenzo[a]anthracen-7-yl)oxirane.
Chemical Property Profile of 7-Oxiranyl-12-methylbenz(a)anthracene
Property Insights of 7-Oxiranyl-12-methylbenz(a)anthracene
The XLogP value of 4.9 indicates that 7-Oxiranyl-12-methylbenz(a)anthracene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, 7-Oxiranyl-12-methylbenz(a)anthracene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Oxiranyl-12-methylbenz(a)anthracene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-Oxiranyl-12-methylbenz(a)anthracene?
The CAS number of 7-Oxiranyl-12-methylbenz(a)anthracene is 61695-77-0.
What is the molecular formula of 7-Oxiranyl-12-methylbenz(a)anthracene?
The molecular formula of 7-Oxiranyl-12-methylbenz(a)anthracene is C21H16O.
What is the molecular weight of 7-Oxiranyl-12-methylbenz(a)anthracene?
The molecular weight of 7-Oxiranyl-12-methylbenz(a)anthracene is 284.12 g/mol.
Where can I buy 7-Oxiranyl-12-methylbenz(a)anthracene?
You can request a quote for 7-Oxiranyl-12-methylbenz(a)anthracene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Oxiranyl-12-methylbenz(a)anthracene?
Yes, KEHONG BIO provides custom synthesis services for 7-Oxiranyl-12-methylbenz(a)anthracene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.