ChemDiv1_020514
TL;DR: ChemDiv1_020514 (CAS 13089-23-1) is a chemical compound with molecular formula C20H24N2O11 and molecular weight 468.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-acetamido-3,4-diacetyloxy-6-(4-nitrophenoxy)oxan-2-yl]methyl acetate
Also Known As: ChemDiv1_020514, BAS 00942871, 4-NITROPHENYL 2-(ACETYLAMINO)-2-DEOXY-ALPHA-D-GALACTOPYRANOSIDE 3,4,6-TRIACETATE, (2R,3S,4R,5R,6S)-5-Acetamido-2-(acetoxymethyl)-6-(4-nitrophenoxy)tetrahydro-2H-pyran-3,4-diyl diacetate, [5-acetamido-3,4-diacetyloxy-6-(4-nitrophenoxy)oxan-2-yl]methyl acetate
| Molecular Formula | C20H24N2O11 |
|---|---|
| Molecular Weight | 468.14 g/mol |
| LogP | 0.6297 |
| Topological Polar Surface Area | 169.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 468.138 |
| Heavy Atoms | 33 |
| Complexity | 901.77704 |
Chemical Identifiers
| CAS Number | 13089-23-1 |
|---|---|
| SMILES | CC(=O)NC1C(C(C(OC1OC2=CC=C(C=C2)[N+](=O)[O-])COC(=O)C)OC(=O)C)OC(=O)C |
Product Overview
ChemDiv1_020514 (CAS 13089-23-1), with molecular formula C20H24N2O11 and molecular weight 468.14 g/mol. IUPAC: [5-acetamido-3,4-diacetyloxy-6-(4-nitrophenoxy)oxan-2-yl]methyl acetate.
Chemical Property Profile of ChemDiv1_020514
Property Insights of ChemDiv1_020514
The XLogP value of 0.6297 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_020514. The TPSA of 169.6 Ų indicates high polarity, suggesting ChemDiv1_020514 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_020514 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 ChemDiv1_020514?
The CAS number of ChemDiv1_020514 is 13089-23-1.
What is the molecular formula of ChemDiv1_020514?
The molecular formula of ChemDiv1_020514 is C20H24N2O11.
What is the molecular weight of ChemDiv1_020514?
The molecular weight of ChemDiv1_020514 is 468.14 g/mol.
Where can I buy ChemDiv1_020514?
You can request a quote for ChemDiv1_020514 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_020514?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_020514 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.