3,4-Epoxy-1,2,3,4-tetrahydrobenz(c)acridine
TL;DR: 3,4-Epoxy-1,2,3,4-tetrahydrobenz(c)acridine (CAS 85617-45-4) is a chemical compound with molecular formula C17H13NO and molecular weight 247.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-oxa-19-azapentacyclo[9.8.0.02,8.05,7.013,18]nonadeca-1(19),2(8),9,11,13,15,17-heptaene
Also Known As: NIOSH/CU4305050, 3,4-Epoxy-1,2,3,4-tetrahydrobenz(c)acridine, Benz(c)acridine, 1,2,3,4-tetrahydro-3,4-epoxy-, 1a,10,11,11a-Tetrahydrooxireno(5,6)benz(1,2-c)acridine, 1a,10,11,11a-tetrahydro[1]benzoxireno[2,3-c]acridine
| Molecular Formula | C17H13NO |
|---|---|
| Molecular Weight | 247.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 25.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 247.09972 |
| Heavy Atoms | 19 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 85617-45-4 |
|---|---|
| SMILES | C1CC2=C(C=CC3=CC4=CC=CC=C4N=C23)C5C1O5 |
| InChIKey | QQLXCXGYRHQLHI-UHFFFAOYSA-N |
Product Overview
3,4-Epoxy-1,2,3,4-tetrahydrobenz(c)acridine (CAS 85617-45-4), with molecular formula C17H13NO and molecular weight 247.10 g/mol. IUPAC: 6-oxa-19-azapentacyclo[9.8.0.02,8.05,7.013,18]nonadeca-1(19),2(8),9,11,13,15,17-heptaene.
Chemical Property Profile of 3,4-Epoxy-1,2,3,4-tetrahydrobenz(c)acridine
Property Insights of 3,4-Epoxy-1,2,3,4-tetrahydrobenz(c)acridine
The XLogP value of 3.1 indicates that 3,4-Epoxy-1,2,3,4-tetrahydrobenz(c)acridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.4 Ų, 3,4-Epoxy-1,2,3,4-tetrahydrobenz(c)acridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Epoxy-1,2,3,4-tetrahydrobenz(c)acridine has 0 hydrogen bond donor(s) and 2 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 3,4-Epoxy-1,2,3,4-tetrahydrobenz(c)acridine?
The CAS number of 3,4-Epoxy-1,2,3,4-tetrahydrobenz(c)acridine is 85617-45-4.
What is the molecular formula of 3,4-Epoxy-1,2,3,4-tetrahydrobenz(c)acridine?
The molecular formula of 3,4-Epoxy-1,2,3,4-tetrahydrobenz(c)acridine is C17H13NO.
What is the molecular weight of 3,4-Epoxy-1,2,3,4-tetrahydrobenz(c)acridine?
The molecular weight of 3,4-Epoxy-1,2,3,4-tetrahydrobenz(c)acridine is 247.10 g/mol.
Where can I buy 3,4-Epoxy-1,2,3,4-tetrahydrobenz(c)acridine?
You can request a quote for 3,4-Epoxy-1,2,3,4-tetrahydrobenz(c)acridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Epoxy-1,2,3,4-tetrahydrobenz(c)acridine?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Epoxy-1,2,3,4-tetrahydrobenz(c)acridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.