油酰雌酮
TL;DR: 油酰雌酮 (CAS 180003-17-2) is a chemical compound with molecular formula C36H54O3 and molecular weight 534.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
油酰雌酮
[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] (Z)-octadec-9-enoate
Also Known As: oleoylestrone, Oleoyl-estrone, Estrone 3-oleate, oleoyl estrone, estrone monooleate
| Molecular Formula | C36H54O3 |
|---|---|
| Molecular Weight | 534.41 g/mol |
| LogP | 10.0547 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 16 |
| Exact Mass | 534.4073 |
| Heavy Atoms | 39 |
| Complexity | 962.0435 |
Chemical Identifiers
| CAS Number | 180003-17-2 |
|---|---|
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)OC1=CC2=C(C=C1)[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CCC4=O)C |
Product Overview
油酰雌酮 (CAS 180003-17-2), with molecular formula C36H54O3 and molecular weight 534.41 g/mol. IUPAC: [(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] (Z)-octadec-9-enoate.
Chemical Property Profile of 油酰雌酮
Property Insights of 油酰雌酮
The XLogP value of 10.0547 indicates that 油酰雌酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 油酰雌酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 油酰雌酮 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 油酰雌酮?
The CAS number of 油酰雌酮 is 180003-17-2.
What is the molecular formula of 油酰雌酮?
The molecular formula of 油酰雌酮 is C36H54O3.
What is the molecular weight of 油酰雌酮?
The molecular weight of 油酰雌酮 is 534.41 g/mol.
Where can I buy 油酰雌酮?
You can request a quote for 油酰雌酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 油酰雌酮?
Yes, KEHONG BIO provides custom synthesis services for 油酰雌酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.