(4,4a,6a,6b,8a,11,11,14a-octamethyl-1,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-yl) 3-phenylpropanoate
TL;DR: (4,4a,6a,6b,8a,11,11,14a-octamethyl-1,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-yl) 3-phenylpropanoate (CAS 7599-27-1) is a chemical compound with molecular formula C39H58O2 and molecular weight 558.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,4a,6a,6b,8a,11,11,14a-octamethyl-1,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-yl) 3-phenylpropanoate
Also Known As: (4,4a,6a,6b,8a,11,11,14a-octamethyl-1,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-yl) 3-phenylpropanoate, 4,4a,6b,8a,11,11,12b,14a-Octamethyl-1,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen-3-yl 3-phenylpropanoate
| Molecular Formula | C39H58O2 |
|---|---|
| Molecular Weight | 558.44 g/mol |
| LogP | 12.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 558.44366 |
| Heavy Atoms | 41 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 7599-27-1 |
|---|---|
| SMILES | CC1C(=CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C)OC(=O)CCC6=CC=CC=C6 |
| InChIKey | CZOQNWSFDQAYMD-UHFFFAOYSA-N |
Product Overview
(4,4a,6a,6b,8a,11,11,14a-octamethyl-1,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-yl) 3-phenylpropanoate (CAS 7599-27-1), with molecular formula C39H58O2 and molecular weight 558.44 g/mol. IUPAC: (4,4a,6a,6b,8a,11,11,14a-octamethyl-1,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-yl) 3-phenylpropanoate.
Chemical Property Profile of (4,4a,6a,6b,8a,11,11,14a-octamethyl-1,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-yl) 3-phenylpropanoate
Property Insights of (4,4a,6a,6b,8a,11,11,14a-octamethyl-1,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-yl) 3-phenylpropanoate
The XLogP value of 12.3 indicates that (4,4a,6a,6b,8a,11,11,14a-octamethyl-1,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-yl) 3-phenylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (4,4a,6a,6b,8a,11,11,14a-octamethyl-1,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-yl) 3-phenylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4,4a,6a,6b,8a,11,11,14a-octamethyl-1,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-yl) 3-phenylpropanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4,4a,6a,6b,8a,11,11,14a-octamethyl-1,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-yl) 3-phenylpropanoate?
The CAS number of (4,4a,6a,6b,8a,11,11,14a-octamethyl-1,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-yl) 3-phenylpropanoate is 7599-27-1.
What is the molecular formula of (4,4a,6a,6b,8a,11,11,14a-octamethyl-1,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-yl) 3-phenylpropanoate?
The molecular formula of (4,4a,6a,6b,8a,11,11,14a-octamethyl-1,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-yl) 3-phenylpropanoate is C39H58O2.
What is the molecular weight of (4,4a,6a,6b,8a,11,11,14a-octamethyl-1,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-yl) 3-phenylpropanoate?
The molecular weight of (4,4a,6a,6b,8a,11,11,14a-octamethyl-1,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-yl) 3-phenylpropanoate is 558.44 g/mol.
Where can I buy (4,4a,6a,6b,8a,11,11,14a-octamethyl-1,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-yl) 3-phenylpropanoate?
You can request a quote for (4,4a,6a,6b,8a,11,11,14a-octamethyl-1,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-yl) 3-phenylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4,4a,6a,6b,8a,11,11,14a-octamethyl-1,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-yl) 3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for (4,4a,6a,6b,8a,11,11,14a-octamethyl-1,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-yl) 3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.