Benzyl N-acetyl-4,6-O-benzylidenemuramic acid
TL;DR: Benzyl N-acetyl-4,6-O-benzylidenemuramic acid (CAS 19229-57-3) is a chemical compound with molecular formula C25H29NO8 and molecular weight 471.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(4aR,6S,7R,8R,8aS)-7-acetamido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]propanoic acid
Also Known As: MixCom3_000170, ALPHA-BENZYL-4,6-O-BENZYLIDENE-MURAMIC ACID, Benzyl N-acetyl-4,6-O-benzylidenemuramic acid, 1-Benzyl-N-Acetyl-4,6-O-benzylidenemuramic Acid, 1-O-Benzyl-N-acetyl-4,6-O-benzylidenemuramic acid
| Molecular Formula | C25H29NO8 |
|---|---|
| Molecular Weight | 471.19 g/mol |
| LogP | 2.4053 |
| Topological Polar Surface Area | 112.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 471.18933 |
| Heavy Atoms | 34 |
| Complexity | 955.9027 |
Chemical Identifiers
| CAS Number | 19229-57-3 |
|---|---|
| SMILES | CC(C(=O)O)O[C@@H]1[C@H]([C@H](O[C@H]2[C@H]1OC(OC2)C3=CC=CC=C3)OCC4=CC=CC=C4)NC(=O)C |
Product Overview
Benzyl N-acetyl-4,6-O-benzylidenemuramic acid (CAS 19229-57-3), with molecular formula C25H29NO8 and molecular weight 471.19 g/mol. IUPAC: 2-[[(4aR,6S,7R,8R,8aS)-7-acetamido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]propanoic acid.
Chemical Property Profile of Benzyl N-acetyl-4,6-O-benzylidenemuramic acid
Property Insights of Benzyl N-acetyl-4,6-O-benzylidenemuramic acid
The XLogP value of 2.4053 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl N-acetyl-4,6-O-benzylidenemuramic acid. The TPSA of 112.55 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl N-acetyl-4,6-O-benzylidenemuramic acid. Following Lipinski's Rule of Five, Benzyl N-acetyl-4,6-O-benzylidenemuramic acid has 2 hydrogen bond donor(s) and 7 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-benzylidenemuramic acid?
The CAS number of Benzyl N-acetyl-4,6-O-benzylidenemuramic acid is 19229-57-3.
What is the molecular formula of Benzyl N-acetyl-4,6-O-benzylidenemuramic acid?
The molecular formula of Benzyl N-acetyl-4,6-O-benzylidenemuramic acid is C25H29NO8.
What is the molecular weight of Benzyl N-acetyl-4,6-O-benzylidenemuramic acid?
The molecular weight of Benzyl N-acetyl-4,6-O-benzylidenemuramic acid is 471.19 g/mol.
Where can I buy Benzyl N-acetyl-4,6-O-benzylidenemuramic acid?
You can request a quote for Benzyl N-acetyl-4,6-O-benzylidenemuramic acid 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-benzylidenemuramic acid?
Yes, KEHONG BIO provides custom synthesis services for Benzyl N-acetyl-4,6-O-benzylidenemuramic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.