Xylaral
TL;DR: Xylaral (CAS 127913-82-0) is a chemical compound with molecular formula C23H30O7 and molecular weight 418.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3,5,7-trihydroxy-1-oxo-6-[(E)-3-oxotetradec-4-enyl]-3H-2-benzofuran-4-carbaldehyde
Also Known As: Xylaral, (3S)-3,5,7-trihydroxy-1-oxo-6-[(E)-3-oxotetradec-4-enyl]-3H-2-benzofuran-4-carbaldehyde, 3,5,7-trihydroxy-1-oxo-6-[(E)-3-oxotetradec-4-enyl]-3H-2-benzouran-4-carbaldehyde, (3S)-3,5,7-Trihydroxy-1-oxo-6-[(4E)-3-oxotetradec-4-en-1-yl]-1,3-dihydro-2-benzofuran-4-carbaldehyde
| Molecular Formula | C23H30O7 |
|---|---|
| Molecular Weight | 418.20 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 418.19916 |
| Heavy Atoms | 30 |
| Complexity | 602.0 |
Chemical Identifiers
| CAS Number | 127913-82-0 |
|---|---|
| SMILES | CCCCCCCCC/C=C/C(=O)CCC1=C(C(=C2[C@H](OC(=O)C2=C1O)O)C=O)O |
| InChIKey | IPXWNHKZNHVKLL-NEQMZLFVSA-N |
Product Overview
Xylaral (CAS 127913-82-0), with molecular formula C23H30O7 and molecular weight 418.20 g/mol. IUPAC: (3S)-3,5,7-trihydroxy-1-oxo-6-[(E)-3-oxotetradec-4-enyl]-3H-2-benzofuran-4-carbaldehyde.
Chemical Property Profile of Xylaral
Property Insights of Xylaral
The XLogP value of 5.6 indicates that Xylaral is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Xylaral. Following Lipinski's Rule of Five, Xylaral has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Xylaral?
The CAS number of Xylaral is 127913-82-0.
What is the molecular formula of Xylaral?
The molecular formula of Xylaral is C23H30O7.
What is the molecular weight of Xylaral?
The molecular weight of Xylaral is 418.20 g/mol.
Where can I buy Xylaral?
You can request a quote for Xylaral directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xylaral?
Yes, KEHONG BIO provides custom synthesis services for Xylaral and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.