3-((10-Ethyl-11-(4-hydroxyphenyl)dibenz(b,f)oxepin-3-yl)oxy)1,2-propanediol
TL;DR: 3-((10-Ethyl-11-(4-hydroxyphenyl)dibenz(b,f)oxepin-3-yl)oxy)1,2-propanediol (CAS 85850-93-7) is a chemical compound with molecular formula C25H24O5 and molecular weight 404.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[6-ethyl-5-(4-hydroxyphenyl)benzo[b][1]benzoxepin-2-yl]oxypropane-1,2-diol
Also Known As: C25H24O5.1/4H2O, C25-H24-O5.1/4H2-O, 3-((10-Ethyl-11-(4-hydroxyphenyl)dibenz(b,f)oxepin-3-yl)oxy)1,2-propanediol, 3-((10-Ethyl-11-(p-hydroxyphenyl)dibenz(b,f)oxepin-3-yl)oxy)-1,2-propanediol hydrate (4:1), 1,2-Propanediol, 3-((10-ethyl-11-(p-hydroxyphenyl)dibenz(b,f)oxepin-3-yl)oxy)-, hydrate (4:1)
| Molecular Formula | C25H24O5 |
|---|---|
| Molecular Weight | 404.16 g/mol |
| LogP | 4.599 |
| Topological Polar Surface Area | 79.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.16238 |
| Heavy Atoms | 30 |
| Complexity | 1069.152 |
Chemical Identifiers
| CAS Number | 85850-93-7 |
|---|---|
| SMILES | CCC1=C(C2=C(C=C(C=C2)OCC(CO)O)OC3=CC=CC=C31)C4=CC=C(C=C4)O |
Product Overview
3-((10-Ethyl-11-(4-hydroxyphenyl)dibenz(b,f)oxepin-3-yl)oxy)1,2-propanediol (CAS 85850-93-7), with molecular formula C25H24O5 and molecular weight 404.16 g/mol. IUPAC: 3-[6-ethyl-5-(4-hydroxyphenyl)benzo[b][1]benzoxepin-2-yl]oxypropane-1,2-diol.
Chemical Property Profile of 3-((10-Ethyl-11-(4-hydroxyphenyl)dibenz(b,f)oxepin-3-yl)oxy)1,2-propanediol
Property Insights of 3-((10-Ethyl-11-(4-hydroxyphenyl)dibenz(b,f)oxepin-3-yl)oxy)1,2-propanediol
The XLogP value of 4.599 indicates that 3-((10-Ethyl-11-(4-hydroxyphenyl)dibenz(b,f)oxepin-3-yl)oxy)1,2-propanediol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((10-Ethyl-11-(4-hydroxyphenyl)dibenz(b,f)oxepin-3-yl)oxy)1,2-propanediol. Following Lipinski's Rule of Five, 3-((10-Ethyl-11-(4-hydroxyphenyl)dibenz(b,f)oxepin-3-yl)oxy)1,2-propanediol has 3 hydrogen bond donor(s) and 5 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-((10-Ethyl-11-(4-hydroxyphenyl)dibenz(b,f)oxepin-3-yl)oxy)1,2-propanediol?
The CAS number of 3-((10-Ethyl-11-(4-hydroxyphenyl)dibenz(b,f)oxepin-3-yl)oxy)1,2-propanediol is 85850-93-7.
What is the molecular formula of 3-((10-Ethyl-11-(4-hydroxyphenyl)dibenz(b,f)oxepin-3-yl)oxy)1,2-propanediol?
The molecular formula of 3-((10-Ethyl-11-(4-hydroxyphenyl)dibenz(b,f)oxepin-3-yl)oxy)1,2-propanediol is C25H24O5.
What is the molecular weight of 3-((10-Ethyl-11-(4-hydroxyphenyl)dibenz(b,f)oxepin-3-yl)oxy)1,2-propanediol?
The molecular weight of 3-((10-Ethyl-11-(4-hydroxyphenyl)dibenz(b,f)oxepin-3-yl)oxy)1,2-propanediol is 404.16 g/mol.
Where can I buy 3-((10-Ethyl-11-(4-hydroxyphenyl)dibenz(b,f)oxepin-3-yl)oxy)1,2-propanediol?
You can request a quote for 3-((10-Ethyl-11-(4-hydroxyphenyl)dibenz(b,f)oxepin-3-yl)oxy)1,2-propanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((10-Ethyl-11-(4-hydroxyphenyl)dibenz(b,f)oxepin-3-yl)oxy)1,2-propanediol?
Yes, KEHONG BIO provides custom synthesis services for 3-((10-Ethyl-11-(4-hydroxyphenyl)dibenz(b,f)oxepin-3-yl)oxy)1,2-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.