Benzyl N-Acetyl-4,6-O-benzylidene-alpha-isomuramic Acid Methyl Ester
TL;DR: Benzyl N-Acetyl-4,6-O-benzylidene-alpha-isomuramic Acid Methyl Ester (CAS 104371-51-9) is a chemical compound with molecular formula C26H31NO8 and molecular weight 485.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(7-acetamido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl)oxy]propanoate
Also Known As: Benzyl N-Acetyl-4,6-O-benzylidene-alpha-isomuramic Acid Methyl Ester, Benzyl N-Acetyl-4,6-O-benzylidene- -D-muramic Acid Methyl Ester, Benzyl 2-acetamido-4,6-O-benzylidene-2-deoxy-a-D-muramic acid methyl ester, Methyl 2-[(3-acetamido-9-phenyl-4-phenylmethoxy-5,8,10-trioxabicyclo[4.4.0]dec-2-yl)oxy]propanoate, methyl 2-[(7-acetamido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl)oxy]propanoate
| Molecular Formula | C26H31NO8 |
|---|---|
| Molecular Weight | 485.20 g/mol |
| LogP | 2.4937 |
| Topological Polar Surface Area | 101.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 485.20496 |
| Heavy Atoms | 35 |
| Complexity | 971.8318 |
Chemical Identifiers
| CAS Number | 104371-51-9 |
|---|---|
| SMILES | CC(C(=O)OC)OC1C(C(OC2C1OC(OC2)C3=CC=CC=C3)OCC4=CC=CC=C4)NC(=O)C |
Product Overview
Benzyl N-Acetyl-4,6-O-benzylidene-alpha-isomuramic Acid Methyl Ester (CAS 104371-51-9), with molecular formula C26H31NO8 and molecular weight 485.20 g/mol. IUPAC: methyl 2-[(7-acetamido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl)oxy]propanoate.
Chemical Property Profile of Benzyl N-Acetyl-4,6-O-benzylidene-alpha-isomuramic Acid Methyl Ester
Property Insights of Benzyl N-Acetyl-4,6-O-benzylidene-alpha-isomuramic Acid Methyl Ester
The XLogP value of 2.4937 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl N-Acetyl-4,6-O-benzylidene-alpha-isomuramic Acid Methyl Ester. The TPSA of 101.55 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl N-Acetyl-4,6-O-benzylidene-alpha-isomuramic Acid Methyl Ester. Following Lipinski's Rule of Five, Benzyl N-Acetyl-4,6-O-benzylidene-alpha-isomuramic Acid Methyl Ester has 1 hydrogen bond donor(s) and 8 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 Benzyl N-Acetyl-4,6-O-benzylidene-alpha-isomuramic Acid Methyl Ester?
The CAS number of Benzyl N-Acetyl-4,6-O-benzylidene-alpha-isomuramic Acid Methyl Ester is 104371-51-9.
What is the molecular formula of Benzyl N-Acetyl-4,6-O-benzylidene-alpha-isomuramic Acid Methyl Ester?
The molecular formula of Benzyl N-Acetyl-4,6-O-benzylidene-alpha-isomuramic Acid Methyl Ester is C26H31NO8.
What is the molecular weight of Benzyl N-Acetyl-4,6-O-benzylidene-alpha-isomuramic Acid Methyl Ester?
The molecular weight of Benzyl N-Acetyl-4,6-O-benzylidene-alpha-isomuramic Acid Methyl Ester is 485.20 g/mol.
Where can I buy Benzyl N-Acetyl-4,6-O-benzylidene-alpha-isomuramic Acid Methyl Ester?
You can request a quote for Benzyl N-Acetyl-4,6-O-benzylidene-alpha-isomuramic Acid Methyl Ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl N-Acetyl-4,6-O-benzylidene-alpha-isomuramic Acid Methyl Ester?
Yes, KEHONG BIO provides custom synthesis services for Benzyl N-Acetyl-4,6-O-benzylidene-alpha-isomuramic Acid Methyl Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.