5-(Acetoxymethyl)chrysene
TL;DR: 5-(Acetoxymethyl)chrysene (CAS 71431-96-4) is a chemical compound with molecular formula C21H16O2 and molecular weight 300.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chrysen-5-ylmethyl acetate
Also Known As: 5-(Acetoxymethyl)chrysene, chrysen-5-ylmethyl acetate, 5-Chrysenemethanol acetate, 5-CHRYSENEMETHANOL, ACETATE (ester), (CHRYSEN-5-YL)METHYL ACETATE
| Molecular Formula | C21H16O2 |
|---|---|
| Molecular Weight | 300.12 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.11502 |
| Heavy Atoms | 23 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 71431-96-4 |
|---|---|
| SMILES | CC(=O)OCC1=CC2=CC=CC=C2C3=C1C4=CC=CC=C4C=C3 |
| InChIKey | PGBXBJXJTLTDSA-UHFFFAOYSA-N |
Product Overview
5-(Acetoxymethyl)chrysene (CAS 71431-96-4), with molecular formula C21H16O2 and molecular weight 300.12 g/mol. IUPAC: chrysen-5-ylmethyl acetate.
Chemical Property Profile of 5-(Acetoxymethyl)chrysene
Property Insights of 5-(Acetoxymethyl)chrysene
The XLogP value of 5.4 indicates that 5-(Acetoxymethyl)chrysene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 5-(Acetoxymethyl)chrysene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Acetoxymethyl)chrysene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(Acetoxymethyl)chrysene?
The CAS number of 5-(Acetoxymethyl)chrysene is 71431-96-4.
What is the molecular formula of 5-(Acetoxymethyl)chrysene?
The molecular formula of 5-(Acetoxymethyl)chrysene is C21H16O2.
What is the molecular weight of 5-(Acetoxymethyl)chrysene?
The molecular weight of 5-(Acetoxymethyl)chrysene is 300.12 g/mol.
Where can I buy 5-(Acetoxymethyl)chrysene?
You can request a quote for 5-(Acetoxymethyl)chrysene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Acetoxymethyl)chrysene?
Yes, KEHONG BIO provides custom synthesis services for 5-(Acetoxymethyl)chrysene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.