Demethylcarolignan E
TL;DR: Demethylcarolignan E (CAS 873694-46-3) is a chemical compound with molecular formula C39H40O13 and molecular weight 716.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-hydroxy-4-[(1S,2S)-1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropan-2-yl]oxyphenyl]propyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Also Known As: Demethylcarolignan E, Carolignan M, (7S,8S)-Demethylcarolignan E, HY-N7589, 3-[3-hydroxy-4-[(1S,2S)-1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropan-2-yl]oxyphenyl]propyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
| Molecular Formula | C39H40O13 |
|---|---|
| Molecular Weight | 716.25 g/mol |
| LogP | 5.4616 |
| Topological Polar Surface Area | 190.67 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 17 |
| Exact Mass | 716.2469 |
| Heavy Atoms | 52 |
| Complexity | 1899.548 |
Chemical Identifiers
| CAS Number | 873694-46-3 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/C(=O)OCCCC2=CC(=C(C=C2)O[C@@H](COC(=O)/C=C/C3=CC(=C(C=C3)O)OC)[C@H](C4=CC(=C(C=C4)O)OC)O)O)O |
Product Overview
Demethylcarolignan E (CAS 873694-46-3), with molecular formula C39H40O13 and molecular weight 716.25 g/mol. IUPAC: 3-[3-hydroxy-4-[(1S,2S)-1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropan-2-yl]oxyphenyl]propyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate.
Chemical Property Profile of Demethylcarolignan E
Property Insights of Demethylcarolignan E
The XLogP value of 5.4616 indicates that Demethylcarolignan E is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 190.67 Ų indicates high polarity, suggesting Demethylcarolignan E may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Demethylcarolignan E has 5 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 Demethylcarolignan E?
The CAS number of Demethylcarolignan E is 873694-46-3.
What is the molecular formula of Demethylcarolignan E?
The molecular formula of Demethylcarolignan E is C39H40O13.
What is the molecular weight of Demethylcarolignan E?
The molecular weight of Demethylcarolignan E is 716.25 g/mol.
Where can I buy Demethylcarolignan E?
You can request a quote for Demethylcarolignan E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Demethylcarolignan E?
Yes, KEHONG BIO provides custom synthesis services for Demethylcarolignan E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.