![3-[ oxy]-1,2-propanediol structure](/static/products/858/85850-91-5.png)
3-[ oxy]-1,2-propanediol
TL;DR: 3-[ oxy]-1,2-propanediol (CAS 85850-91-5) is a chemical compound with molecular formula C27H28O3 and molecular weight 400.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(10Z)-11-ethyl-10-phenyl-6-tricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,10,12,14-heptaenyl]oxy]propane-1,2-diol
Also Known As: 3-[ oxy]-1,2-propanediol, 1,2-Propanediol, 3-((6-ethyl-5-phenyl-11,12-dihydrodibenzo(a,e)cycloocten-2-yl)oxy)-, 3-((6-Ethyl-5-phenyl-11,12-dihydrodibenzo(a,e)cycloocten-2-yl)oxy)-1,2-propanediol, 3-((6-Ethyl-11,12-dihydro-5-phenyldibenzo(a,E)cycloocten-2-yl)oxy)-1,2-propanediol, 3-[(6-Ethyl-5-phenyl-11,12-dihydrodibenzo[a,e]cycloocten-2-yl)oxy]-1,2-propanediol
| Molecular Formula | C27H28O3 |
|---|---|
| Molecular Weight | 400.20 g/mol |
| LogP | 4.8863 |
| Topological Polar Surface Area | 49.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.20386 |
| Heavy Atoms | 30 |
| Complexity | 1036.9836 |
Chemical Identifiers
| CAS Number | 85850-91-5 |
|---|---|
| SMILES | CC/C/1=C(/C2=C(CCC3=CC=CC=C31)C=C(C=C2)OCC(CO)O)\C4=CC=CC=C4 |
Product Overview
3-[ oxy]-1,2-propanediol (CAS 85850-91-5), with molecular formula C27H28O3 and molecular weight 400.20 g/mol. IUPAC: 3-[[(10Z)-11-ethyl-10-phenyl-6-tricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,10,12,14-heptaenyl]oxy]propane-1,2-diol.
Chemical Property Profile of 3-[ oxy]-1,2-propanediol
Property Insights of 3-[ oxy]-1,2-propanediol
The XLogP value of 4.8863 indicates that 3-[ oxy]-1,2-propanediol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.69 Ų, 3-[ oxy]-1,2-propanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[ oxy]-1,2-propanediol has 2 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 3-[ oxy]-1,2-propanediol?
The CAS number of 3-[ oxy]-1,2-propanediol is 85850-91-5.
What is the molecular formula of 3-[ oxy]-1,2-propanediol?
The molecular formula of 3-[ oxy]-1,2-propanediol is C27H28O3.
What is the molecular weight of 3-[ oxy]-1,2-propanediol?
The molecular weight of 3-[ oxy]-1,2-propanediol is 400.20 g/mol.
Where can I buy 3-[ oxy]-1,2-propanediol?
You can request a quote for 3-[ 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-[ oxy]-1,2-propanediol?
Yes, KEHONG BIO provides custom synthesis services for 3-[ oxy]-1,2-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.