-4-methoxy-4-1,2,3-butanetrioltriacetate
TL;DR: -4-methoxy-4-1,2,3-butanetrioltriacetate (CAS 35405-80-2) is a chemical compound with molecular formula C19H23N3O7 and molecular weight 405.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,3-diacetyloxy-4-methoxy-4-(2-phenyltriazol-4-yl)butyl] acetate
Also Known As: -4-methoxy-4-1,2,3-butanetrioltriacetate, [2,3-diacetyloxy-4-methoxy-4-(2-phenyltriazol-4-yl)butyl] acetate, 1,2,3-Butanetriol, 4-methoxy-4-(2-phenyl-2H-1,2,3-triazol-4-yl)-, triacetate (ester), [2R-(2R*,3S*,4R*)]-, 2-(Acetyloxy)-1-[(acetyloxy)methyl]-3-methoxy-3-(2-phenyl-2H-1,2,3-triazol-4-yl)propyl acetate, 2-(Acetyloxy)-1-[(acetyloxy)methyl]-3-methoxy-3-(2-phenyl-2H-1,2,3-triazol-4-yl)propyl acetate #
| Molecular Formula | C19H23N3O7 |
|---|---|
| Molecular Weight | 405.15 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 405.1536 |
| Heavy Atoms | 29 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 35405-80-2 |
|---|---|
| SMILES | CC(=O)OCC(C(C(C1=NN(N=C1)C2=CC=CC=C2)OC)OC(=O)C)OC(=O)C |
| InChIKey | AGGGNODSWXVAOO-UHFFFAOYSA-N |
Product Overview
-4-methoxy-4-1,2,3-butanetrioltriacetate (CAS 35405-80-2), with molecular formula C19H23N3O7 and molecular weight 405.15 g/mol. IUPAC: [2,3-diacetyloxy-4-methoxy-4-(2-phenyltriazol-4-yl)butyl] acetate.
Chemical Property Profile of -4-methoxy-4-1,2,3-butanetrioltriacetate
Property Insights of -4-methoxy-4-1,2,3-butanetrioltriacetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for -4-methoxy-4-1,2,3-butanetrioltriacetate. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for -4-methoxy-4-1,2,3-butanetrioltriacetate. Following Lipinski's Rule of Five, -4-methoxy-4-1,2,3-butanetrioltriacetate has 0 hydrogen bond donor(s) and 9 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 -4-methoxy-4-1,2,3-butanetrioltriacetate?
The CAS number of -4-methoxy-4-1,2,3-butanetrioltriacetate is 35405-80-2.
What is the molecular formula of -4-methoxy-4-1,2,3-butanetrioltriacetate?
The molecular formula of -4-methoxy-4-1,2,3-butanetrioltriacetate is C19H23N3O7.
What is the molecular weight of -4-methoxy-4-1,2,3-butanetrioltriacetate?
The molecular weight of -4-methoxy-4-1,2,3-butanetrioltriacetate is 405.15 g/mol.
Where can I buy -4-methoxy-4-1,2,3-butanetrioltriacetate?
You can request a quote for -4-methoxy-4-1,2,3-butanetrioltriacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for -4-methoxy-4-1,2,3-butanetrioltriacetate?
Yes, KEHONG BIO provides custom synthesis services for -4-methoxy-4-1,2,3-butanetrioltriacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.