Threo-Carolignan E
TL;DR: Threo-Carolignan E (CAS 344944-09-8) is a chemical compound with molecular formula C40H42O13 and molecular weight 730.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(1S,2S)-1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropan-2-yl]oxy-3-methoxyphenyl]propyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Also Known As: Erythro-carolignan E, threo-Carolignan E, 3-[4-[(1S,2S)-1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropan-2-yl]oxy-3-methoxyphenyl]propyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate, 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, 3-[4-[[(1S,2S)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-[[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]oxy]methyl]ethyl]oxy]-3-methoxyphenyl]propyl ester, (2E)-, 3-(4-((1R,2S)-1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-((E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl)oxypropan-2-yl)oxy-3-methoxyphenyl)propyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
| Molecular Formula | C40H42O13 |
|---|---|
| Molecular Weight | 730.26 g/mol |
| LogP | 5.7646 |
| Topological Polar Surface Area | 179.67 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 18 |
| Exact Mass | 730.2625 |
| Heavy Atoms | 53 |
| Complexity | 1917.0504 |
Chemical Identifiers
| CAS Number | 344944-09-8 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)CCCOC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O[C@@H](COC(=O)/C=C/C3=CC(=C(C=C3)O)OC)[C@H](C4=CC(=C(C=C4)O)OC)O |
Product Overview
Threo-Carolignan E (CAS 344944-09-8), with molecular formula C40H42O13 and molecular weight 730.26 g/mol. IUPAC: 3-[4-[(1S,2S)-1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropan-2-yl]oxy-3-methoxyphenyl]propyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate.
Chemical Property Profile of Threo-Carolignan E
Property Insights of Threo-Carolignan E
The XLogP value of 5.7646 indicates that Threo-Carolignan E is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 179.67 Ų indicates high polarity, suggesting Threo-Carolignan E may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Threo-Carolignan E has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Threo-Carolignan E?
The CAS number of Threo-Carolignan E is 344944-09-8.
What is the molecular formula of Threo-Carolignan E?
The molecular formula of Threo-Carolignan E is C40H42O13.
What is the molecular weight of Threo-Carolignan E?
The molecular weight of Threo-Carolignan E is 730.26 g/mol.
Where can I buy Threo-Carolignan E?
You can request a quote for Threo-Carolignan E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Threo-Carolignan E?
Yes, KEHONG BIO provides custom synthesis services for Threo-Carolignan E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.