Segetalin E
TL;DR: Segetalin E (CAS 177602-12-9) is a chemical compound with molecular formula C43H56N8O8 and molecular weight 812.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,6S,9S,15S,18S,24S)-18-[(4-hydroxyphenyl)methyl]-3-(1H-indol-3-ylmethyl)-6-(2-methylpropyl)-15-propan-2-yl-1,4,7,13,16,19,22-heptazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,20,23-heptone
Also Known As: Segetalin E, Vaccarin C, SEGETALIN C, cyclo(-Gly-Tyr-Val-Pro-Leu-Trp-Pro-), Cyclo(Gly-L-Tyr-L-Val-L-Pro-L-Leu-L-Trp-L-Pro-)
| Molecular Formula | C43H56N8O8 |
|---|---|
| Molecular Weight | 812.42 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 222.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 812.4221 |
| Heavy Atoms | 59 |
| Complexity | 1550.0 |
Chemical Identifiers
| CAS Number | 177602-12-9 |
|---|---|
| SMILES | CC(C)C[C@H]1C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N1)C(C)C)CC4=CC=C(C=C4)O)CC5=CNC6=CC=CC=C65 |
| InChIKey | PFLNHBDSHKCNNW-OPGKZIRUSA-N |
Product Overview
Segetalin E (CAS 177602-12-9), with molecular formula C43H56N8O8 and molecular weight 812.42 g/mol. IUPAC: (3S,6S,9S,15S,18S,24S)-18-[(4-hydroxyphenyl)methyl]-3-(1H-indol-3-ylmethyl)-6-(2-methylpropyl)-15-propan-2-yl-1,4,7,13,16,19,22-heptazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,20,23-heptone.
Chemical Property Profile of Segetalin E
Property Insights of Segetalin E
The XLogP value of 3.7 indicates that Segetalin E is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 222.0 Ų indicates high polarity, suggesting Segetalin E may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Segetalin E has 7 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Segetalin E?
The CAS number of Segetalin E is 177602-12-9.
What is the molecular formula of Segetalin E?
The molecular formula of Segetalin E is C43H56N8O8.
What is the molecular weight of Segetalin E?
The molecular weight of Segetalin E is 812.42 g/mol.
Where can I buy Segetalin E?
You can request a quote for Segetalin E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Segetalin E?
Yes, KEHONG BIO provides custom synthesis services for Segetalin E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.