海伦内酯
TL;DR: 海伦内酯 (CAS 547-17-1) is a chemical compound with molecular formula C72H116O4 and molecular weight 1044.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
海伦内酯
[4-[18-(4-hexadecanoyloxy-2,6,6-trimethylcyclohex-2-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-yl] hexadecanoate
Also Known As: Helenien, Adaptinol, [4-[18-(4-hexadecanoyloxy-2,6,6-trimethyl-cyclohex-2-en-1-yl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-3-en-1-yl] hexadecanoate, [4-[18-(4-hexadecanoyloxy-2,6,6-trimethylcyclohex-2-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-yl] hexadecanoate
| Molecular Formula | C72H116O4 |
|---|---|
| Molecular Weight | 1044.89 g/mol |
| LogP | 26.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 42 |
| Exact Mass | 1044.8873 |
| Heavy Atoms | 76 |
| Complexity | 1980.0 |
Chemical Identifiers
| CAS Number | 547-17-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OC1CC(=C(C(C1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)OC(=O)CCCCCCCCCCCCCCC)C)C)C)C |
| InChIKey | YHGJHDJZIOYZIR-UHFFFAOYSA-N |
Product Overview
海伦内酯 (CAS 547-17-1), with molecular formula C72H116O4 and molecular weight 1044.89 g/mol. IUPAC: [4-[18-(4-hexadecanoyloxy-2,6,6-trimethylcyclohex-2-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-yl] hexadecanoate.
Chemical Property Profile of 海伦内酯
Property Insights of 海伦内酯
The XLogP value of 26.8 indicates that 海伦内酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 海伦内酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 海伦内酯 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 海伦内酯?
The CAS number of 海伦内酯 is 547-17-1.
What is the molecular formula of 海伦内酯?
The molecular formula of 海伦内酯 is C72H116O4.
What is the molecular weight of 海伦内酯?
The molecular weight of 海伦内酯 is 1044.89 g/mol.
Where can I buy 海伦内酯?
You can request a quote for 海伦内酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 海伦内酯?
Yes, KEHONG BIO provides custom synthesis services for 海伦内酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.