2-trans,4-trans-Xanthoxin
TL;DR: 2-trans,4-trans-Xanthoxin (CAS 28874-44-4) is a chemical compound with molecular formula C15H22O3 and molecular weight 250.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E,4E)-5-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3-methylpenta-2,4-dienal
Also Known As: Xanthoxin, Xanthoxal, t-Xanthoxin, 2-trans,4-trans-xanthoxin, trans,trans-Xanthoxin
| Molecular Formula | C15H22O3 |
|---|---|
| Molecular Weight | 250.16 g/mol |
| LogP | 2.3964 |
| Topological Polar Surface Area | 49.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.15689 |
| Heavy Atoms | 18 |
| Complexity | 421.45465 |
Chemical Identifiers
| CAS Number | 28874-44-4 |
|---|---|
| SMILES | C/C(=C\C=O)/C=C/[C@]12[C@](O1)(C[C@H](CC2(C)C)O)C |
Product Overview
2-trans,4-trans-Xanthoxin (CAS 28874-44-4), with molecular formula C15H22O3 and molecular weight 250.16 g/mol. IUPAC: (2E,4E)-5-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3-methylpenta-2,4-dienal.
Chemical Property Profile of 2-trans,4-trans-Xanthoxin
Property Insights of 2-trans,4-trans-Xanthoxin
The XLogP value of 2.3964 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-trans,4-trans-Xanthoxin. With a topological polar surface area (TPSA) of 49.83 Ų, 2-trans,4-trans-Xanthoxin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-trans,4-trans-Xanthoxin has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-trans,4-trans-Xanthoxin?
The CAS number of 2-trans,4-trans-Xanthoxin is 28874-44-4.
What is the molecular formula of 2-trans,4-trans-Xanthoxin?
The molecular formula of 2-trans,4-trans-Xanthoxin is C15H22O3.
What is the molecular weight of 2-trans,4-trans-Xanthoxin?
The molecular weight of 2-trans,4-trans-Xanthoxin is 250.16 g/mol.
Where can I buy 2-trans,4-trans-Xanthoxin?
You can request a quote for 2-trans,4-trans-Xanthoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-trans,4-trans-Xanthoxin?
Yes, KEHONG BIO provides custom synthesis services for 2-trans,4-trans-Xanthoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.