ChemDiv1_023588
TL;DR: ChemDiv1_023588 (CAS 6736-68-1) is a chemical compound with molecular formula C22H27NO11 and molecular weight 481.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxybenzoate
Also Known As: ChemDiv1_023588, 2-Methoxycarbonylphenyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-b-D-glucopyranoside, 2-Methoxycarbonylphenyl 2-acetamido-2-deoxy-beta-D-glucopyranoside, methyl 2-{[4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-3-acetamidooxan-2-yl]oxy}benzoate, Benzoic acid, 2-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]oxy]-, methyl ester
| Molecular Formula | C22H27NO11 |
|---|---|
| Molecular Weight | 481.16 g/mol |
| LogP | 0.5081 |
| Topological Polar Surface Area | 152.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 481.15842 |
| Heavy Atoms | 34 |
| Complexity | 931.1808 |
Chemical Identifiers
| CAS Number | 6736-68-1 |
|---|---|
| SMILES | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=CC=CC=C2C(=O)OC)COC(=O)C)OC(=O)C)OC(=O)C |
Product Overview
ChemDiv1_023588 (CAS 6736-68-1), with molecular formula C22H27NO11 and molecular weight 481.16 g/mol. IUPAC: methyl 2-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxybenzoate.
Chemical Property Profile of ChemDiv1_023588
Property Insights of ChemDiv1_023588
The XLogP value of 0.5081 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_023588. The TPSA of 152.76 Ų indicates high polarity, suggesting ChemDiv1_023588 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_023588 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_023588?
The CAS number of ChemDiv1_023588 is 6736-68-1.
What is the molecular formula of ChemDiv1_023588?
The molecular formula of ChemDiv1_023588 is C22H27NO11.
What is the molecular weight of ChemDiv1_023588?
The molecular weight of ChemDiv1_023588 is 481.16 g/mol.
Where can I buy ChemDiv1_023588?
You can request a quote for ChemDiv1_023588 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023588?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023588 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.