W-3891
TL;DR: W-3891 (CAS 7597-81-1) is a chemical compound with molecular formula C22H27NO10 and molecular weight 465.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4,6-triacetyloxy-5-[(4-methoxyphenyl)methylideneamino]oxan-2-yl]methyl acetate
Also Known As: W-3891, [3,4,6-triacetyloxy-5-[(4-methoxyphenyl)methylideneamino]oxan-2-yl]methyl acetate, (E)-6-(Acetoxymethyl)-3-((4-methoxybenzylidene)amino)tetrahydro-2H-pyran-2,4,5-triyl triacetate, 1,3,4,6-Tetra-O-acetyl-N-(4-methoxybenzylidene)-b-D-glucosamine, (e)-6-(acetoxymethyl)-3-(4-methoxybenzylideneamino)tetrahydro-2h-pyran-2,4,5-triyl triacetate
| Molecular Formula | C22H27NO10 |
|---|---|
| Molecular Weight | 465.16 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 465.16348 |
| Heavy Atoms | 33 |
| Complexity | 731.0 |
Chemical Identifiers
| CAS Number | 7597-81-1 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(C(O1)OC(=O)C)N=CC2=CC=C(C=C2)OC)OC(=O)C)OC(=O)C |
| InChIKey | BPVDJXUNJWJXMH-UHFFFAOYSA-N |
Product Overview
W-3891 (CAS 7597-81-1), with molecular formula C22H27NO10 and molecular weight 465.16 g/mol. IUPAC: [3,4,6-triacetyloxy-5-[(4-methoxyphenyl)methylideneamino]oxan-2-yl]methyl acetate.
Chemical Property Profile of W-3891
Property Insights of W-3891
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for W-3891. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for W-3891. Following Lipinski's Rule of Five, W-3891 has 0 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 W-3891?
The CAS number of W-3891 is 7597-81-1.
What is the molecular formula of W-3891?
The molecular formula of W-3891 is C22H27NO10.
What is the molecular weight of W-3891?
The molecular weight of W-3891 is 465.16 g/mol.
Where can I buy W-3891?
You can request a quote for W-3891 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for W-3891?
Yes, KEHONG BIO provides custom synthesis services for W-3891 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.