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6-ethoxyphenanthro[4,5-cde]oxepin-4(6H)-one
TL;DR: 6-ethoxyphenanthro[4,5-cde]oxepin-4(6H)-one (CAS 337470-62-9) is a chemical compound with molecular formula C18H14O3 and molecular weight 278.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethoxy-3-oxatetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),5,7,9(17),10,12(16),13-heptaen-2-one
Also Known As: 6-ethoxyphenanthro[4,5-cde]oxepin-4(6H)-one, AA-516/12432367, 4-ethoxy-3-oxatetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),5,7,9(17),10,12(16),13-heptaen-2-one
| Molecular Formula | C18H14O3 |
|---|---|
| Molecular Weight | 278.09 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.0943 |
| Heavy Atoms | 21 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 337470-62-9 |
|---|---|
| SMILES | CCOC1C2=CC=CC3=C2C4=C(C=CC=C4C(=O)O1)C=C3 |
| InChIKey | WTBSEAHVWKKDFA-UHFFFAOYSA-N |
Product Overview
6-ethoxyphenanthro[4,5-cde]oxepin-4(6H)-one (CAS 337470-62-9), with molecular formula C18H14O3 and molecular weight 278.09 g/mol. IUPAC: 4-ethoxy-3-oxatetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),5,7,9(17),10,12(16),13-heptaen-2-one.
Chemical Property Profile of 6-ethoxyphenanthro[4,5-cde]oxepin-4(6H)-one
Property Insights of 6-ethoxyphenanthro[4,5-cde]oxepin-4(6H)-one
The XLogP value of 4.2 indicates that 6-ethoxyphenanthro[4,5-cde]oxepin-4(6H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 6-ethoxyphenanthro[4,5-cde]oxepin-4(6H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-ethoxyphenanthro[4,5-cde]oxepin-4(6H)-one has 0 hydrogen bond donor(s) and 3 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 6-ethoxyphenanthro[4,5-cde]oxepin-4(6H)-one?
The CAS number of 6-ethoxyphenanthro[4,5-cde]oxepin-4(6H)-one is 337470-62-9.
What is the molecular formula of 6-ethoxyphenanthro[4,5-cde]oxepin-4(6H)-one?
The molecular formula of 6-ethoxyphenanthro[4,5-cde]oxepin-4(6H)-one is C18H14O3.
What is the molecular weight of 6-ethoxyphenanthro[4,5-cde]oxepin-4(6H)-one?
The molecular weight of 6-ethoxyphenanthro[4,5-cde]oxepin-4(6H)-one is 278.09 g/mol.
Where can I buy 6-ethoxyphenanthro[4,5-cde]oxepin-4(6H)-one?
You can request a quote for 6-ethoxyphenanthro[4,5-cde]oxepin-4(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-ethoxyphenanthro[4,5-cde]oxepin-4(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-ethoxyphenanthro[4,5-cde]oxepin-4(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.