(3-Acetyloxy-6-methoxybenzo(a)pyren-1-yl) acetate
TL;DR: (3-Acetyloxy-6-methoxybenzo(a)pyren-1-yl) acetate (CAS 74192-51-1) is a chemical compound with molecular formula C25H18O5 and molecular weight 398.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-acetyloxy-6-methoxybenzo[a]pyren-1-yl) acetate
Also Known As: (3-Acetyloxy-6-methoxybenzo(a)pyren-1-yl) acetate, 6-methoxybenzo[pqr]tetraphene-1,3-diyl diacetate, (3-acetyloxy-6-methoxybenzo[a]pyren-1-yl) acetate
| Molecular Formula | C25H18O5 |
|---|---|
| Molecular Weight | 398.12 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.11542 |
| Heavy Atoms | 30 |
| Complexity | 676.0 |
Chemical Identifiers
| CAS Number | 74192-51-1 |
|---|---|
| SMILES | CC(=O)OC1=CC(=C2C=CC3=C(C4=CC=CC=C4C5=C3C2=C1C=C5)OC)OC(=O)C |
| InChIKey | SVXPIRHIQCLSIY-UHFFFAOYSA-N |
Product Overview
(3-Acetyloxy-6-methoxybenzo(a)pyren-1-yl) acetate (CAS 74192-51-1), with molecular formula C25H18O5 and molecular weight 398.12 g/mol. IUPAC: (3-acetyloxy-6-methoxybenzo[a]pyren-1-yl) acetate.
Chemical Property Profile of (3-Acetyloxy-6-methoxybenzo(a)pyren-1-yl) acetate
Property Insights of (3-Acetyloxy-6-methoxybenzo(a)pyren-1-yl) acetate
The XLogP value of 5.8 indicates that (3-Acetyloxy-6-methoxybenzo(a)pyren-1-yl) acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Acetyloxy-6-methoxybenzo(a)pyren-1-yl) acetate. Following Lipinski's Rule of Five, (3-Acetyloxy-6-methoxybenzo(a)pyren-1-yl) acetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3-Acetyloxy-6-methoxybenzo(a)pyren-1-yl) acetate?
The CAS number of (3-Acetyloxy-6-methoxybenzo(a)pyren-1-yl) acetate is 74192-51-1.
What is the molecular formula of (3-Acetyloxy-6-methoxybenzo(a)pyren-1-yl) acetate?
The molecular formula of (3-Acetyloxy-6-methoxybenzo(a)pyren-1-yl) acetate is C25H18O5.
What is the molecular weight of (3-Acetyloxy-6-methoxybenzo(a)pyren-1-yl) acetate?
The molecular weight of (3-Acetyloxy-6-methoxybenzo(a)pyren-1-yl) acetate is 398.12 g/mol.
Where can I buy (3-Acetyloxy-6-methoxybenzo(a)pyren-1-yl) acetate?
You can request a quote for (3-Acetyloxy-6-methoxybenzo(a)pyren-1-yl) acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Acetyloxy-6-methoxybenzo(a)pyren-1-yl) acetate?
Yes, KEHONG BIO provides custom synthesis services for (3-Acetyloxy-6-methoxybenzo(a)pyren-1-yl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.