Pentoxyresorufin
TL;DR: Pentoxyresorufin (CAS 87687-03-4) is a chemical compound with molecular formula C17H17NO3 and molecular weight 283.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-pentoxyphenoxazin-3-one
Also Known As: Pentoxyresorufin, Resorufin pentyl ether, O-Pentylresorufin, 7-Pentoxyphenoxazone, 7-Pentoxyresorufin
| Molecular Formula | C17H17NO3 |
|---|---|
| Molecular Weight | 283.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 283.12085 |
| Heavy Atoms | 21 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 87687-03-4 |
|---|---|
| SMILES | CCCCCOC1=CC2=C(C=C1)N=C3C=CC(=O)C=C3O2 |
| InChIKey | ZPSOKQFFOYYPKC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentoxyresorufin (CAS 87687-03-4), with molecular formula C17H17NO3 and molecular weight 283.12 g/mol. IUPAC: 7-pentoxyphenoxazin-3-one.
Chemical Property Profile of Pentoxyresorufin
Property Insights of Pentoxyresorufin
The XLogP value of 3.2 indicates that Pentoxyresorufin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.9 Ų, Pentoxyresorufin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentoxyresorufin has 0 hydrogen bond donor(s) and 4 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 Pentoxyresorufin?
The CAS number of Pentoxyresorufin is 87687-03-4.
What is the molecular formula of Pentoxyresorufin?
The molecular formula of Pentoxyresorufin is C17H17NO3.
What is the molecular weight of Pentoxyresorufin?
The molecular weight of Pentoxyresorufin is 283.12 g/mol.
Where can I buy Pentoxyresorufin?
You can request a quote for Pentoxyresorufin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentoxyresorufin?
Yes, KEHONG BIO provides custom synthesis services for Pentoxyresorufin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.