Blepharocalyxin E
TL;DR: Blepharocalyxin E (CAS 294855-53-1) is a chemical compound with molecular formula C54H54O11 and molecular weight 878.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-[2,4-dihydroxy-3-[(2S,3R,4R,6S)-3-[(E,1S,5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hept-2-enyl]-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]oxan-4-yl]-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Also Known As: Blepharocalyxin E, J1.384.828I, (2E)-1-{2,4-dihydroxy-3-[(2S,3R,4R,6S)-3-[(1S,2E,5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hept-2-en-1-yl]-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]oxan-4-yl]-6-methoxyphenyl}-3-(4-hydroxyphenyl)prop-2-en-1-one, (2S)-2alpha-(4-Hydroxyphenyl)-3beta-[(1S,2E,5S)-1,7-bis(4-hydroxyphenyl)-5-hydroxy-2-heptenyl]-4alpha-[2,6-dihydroxy-3-(4-hydroxy-trans-cinnamoyl)-4-methoxyphenyl]-6alpha-(4-hydroxyphenethyl)tetrahydro-2H-pyran, (E)-1-(2,4-dihydroxy-3-((2S,3R,4R,6S)-3-((E,1S,5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hept-2-enyl)-2-(4-hydroxyphenyl)-6-(2-(4-hydroxyphenyl)ethyl)oxan-4-yl)-6-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
| Molecular Formula | C54H54O11 |
|---|---|
| Molecular Weight | 878.37 g/mol |
| LogP | 10.1171 |
| Topological Polar Surface Area | 197.37 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 17 |
| Exact Mass | 878.36664 |
| Heavy Atoms | 65 |
| Complexity | 2566.2908 |
Chemical Identifiers
| CAS Number | 294855-53-1 |
|---|---|
| SMILES | COC1=C(C(=C(C(=C1)O)[C@@H]2C[C@@H](O[C@@H]([C@H]2[C@H](/C=C/C[C@H](CCC3=CC=C(C=C3)O)O)C4=CC=C(C=C4)O)C5=CC=C(C=C5)O)CCC6=CC=C(C=C6)O)O)C(=O)/C=C/C7=CC=C(C=C7)O |
Product Overview
Blepharocalyxin E (CAS 294855-53-1), with molecular formula C54H54O11 and molecular weight 878.37 g/mol. IUPAC: (E)-1-[2,4-dihydroxy-3-[(2S,3R,4R,6S)-3-[(E,1S,5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hept-2-enyl]-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]oxan-4-yl]-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one.
Chemical Property Profile of Blepharocalyxin E
Property Insights of Blepharocalyxin E
The XLogP value of 10.1171 indicates that Blepharocalyxin E is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 197.37 Ų indicates high polarity, suggesting Blepharocalyxin E may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Blepharocalyxin E has 8 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Blepharocalyxin E?
The CAS number of Blepharocalyxin E is 294855-53-1.
What is the molecular formula of Blepharocalyxin E?
The molecular formula of Blepharocalyxin E is C54H54O11.
What is the molecular weight of Blepharocalyxin E?
The molecular weight of Blepharocalyxin E is 878.37 g/mol.
Where can I buy Blepharocalyxin E?
You can request a quote for Blepharocalyxin E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Blepharocalyxin E?
Yes, KEHONG BIO provides custom synthesis services for Blepharocalyxin E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.