2,3,4-Tri-O-acetyl-alpha-D-glucuronide methyl ester trichloroacetimidate
TL;DR: 2,3,4-Tri-O-acetyl-alpha-D-glucuronide methyl ester trichloroacetimidate (CAS 197895-54-8) is a chemical compound with molecular formula C15H18Cl3NO10 and molecular weight 477.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,4,5-triacetyloxy-6-(2,2,2-trichloroethanimidoyl)oxyoxane-2-carboxylate
Also Known As: J3.734.440K, 2,3,4-Tri-O-acetyl-a-D-glucuronide methyl ester trichloroacetimidate, 2,3,4-Tri-O-acetyl-alpha-D-glucuronic Acid Methyl Ester, Trichloroacetimidate, methyl 3,4,5-tris(acetyloxy)-6-[(2,2,2-trichloroethanimidoyl)oxy]oxane-2-carboxylate, 2,3,4-Tri-O-acetyl-alpha-D-glucuronide methyl ester trichloroacetimidate
| Molecular Formula | C15H18Cl3NO10 |
|---|---|
| Molecular Weight | 477.00 g/mol |
| LogP | 1.04347 |
| Topological Polar Surface Area | 147.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 476.99963 |
| Heavy Atoms | 29 |
| Complexity | 679.7436 |
Chemical Identifiers
| CAS Number | 197895-54-8 |
|---|---|
| SMILES | CC(=O)OC1C(C(OC(C1OC(=O)C)OC(=N)C(Cl)(Cl)Cl)C(=O)OC)OC(=O)C |
Product Overview
2,3,4-Tri-O-acetyl-alpha-D-glucuronide methyl ester trichloroacetimidate (CAS 197895-54-8), with molecular formula C15H18Cl3NO10 and molecular weight 477.00 g/mol. IUPAC: methyl 3,4,5-triacetyloxy-6-(2,2,2-trichloroethanimidoyl)oxyoxane-2-carboxylate.
Chemical Property Profile of 2,3,4-Tri-O-acetyl-alpha-D-glucuronide methyl ester trichloroacetimidate
Property Insights of 2,3,4-Tri-O-acetyl-alpha-D-glucuronide methyl ester trichloroacetimidate
The XLogP value of 1.04347 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4-Tri-O-acetyl-alpha-D-glucuronide methyl ester trichloroacetimidate. The TPSA of 147.51 Ų indicates high polarity, suggesting 2,3,4-Tri-O-acetyl-alpha-D-glucuronide methyl ester trichloroacetimidate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,3,4-Tri-O-acetyl-alpha-D-glucuronide methyl ester trichloroacetimidate has 1 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 2,3,4-Tri-O-acetyl-alpha-D-glucuronide methyl ester trichloroacetimidate?
The CAS number of 2,3,4-Tri-O-acetyl-alpha-D-glucuronide methyl ester trichloroacetimidate is 197895-54-8.
What is the molecular formula of 2,3,4-Tri-O-acetyl-alpha-D-glucuronide methyl ester trichloroacetimidate?
The molecular formula of 2,3,4-Tri-O-acetyl-alpha-D-glucuronide methyl ester trichloroacetimidate is C15H18Cl3NO10.
What is the molecular weight of 2,3,4-Tri-O-acetyl-alpha-D-glucuronide methyl ester trichloroacetimidate?
The molecular weight of 2,3,4-Tri-O-acetyl-alpha-D-glucuronide methyl ester trichloroacetimidate is 477.00 g/mol.
Where can I buy 2,3,4-Tri-O-acetyl-alpha-D-glucuronide methyl ester trichloroacetimidate?
You can request a quote for 2,3,4-Tri-O-acetyl-alpha-D-glucuronide methyl ester trichloroacetimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4-Tri-O-acetyl-alpha-D-glucuronide methyl ester trichloroacetimidate?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4-Tri-O-acetyl-alpha-D-glucuronide methyl ester trichloroacetimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.