![[4-Acetamido-2-(bromomethyl)-6-methoxyoxan-3-yl] benzoate structure](/static/products/6355/63554-16-5.webp)
[4-Acetamido-2-(bromomethyl)-6-methoxyoxan-3-yl] benzoate
TL;DR: [4-Acetamido-2-(bromomethyl)-6-methoxyoxan-3-yl] benzoate (CAS 63554-16-5) is a chemical compound with molecular formula C16H20BrNO5 and molecular weight 385.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-acetamido-2-(bromomethyl)-6-methoxyoxan-3-yl] benzoate
Also Known As: [4-acetamido-2-(bromomethyl)-6-methoxyoxan-3-yl] benzoate|4-(acetylamino)-2-(bromomethyl)-6-methoxytetrahydro-2H-pyran-3-yl benzoate|AG-650/41069385|Methyl 3-acetamido-4-O-benzoyl-6-bromo-2,3,6-trideoxy-a-D-ribo-hexopyranoside|[(2S,3S,4S,6S)-4-acetamido-2-(bromomethyl)-6-methoxyoxan-3-yl] benzoate|Methyl 3-Acetylamino-4-O-benzoyl-6-bromo-2,3,6-trideoxy-I+/--D-ribo-hexopyranoside|Methyl 4-O-benzoyl-6-bromo-2,3,6-trideoxy-3-[(1-hydroxyethylidene)amino]hexopyranoside|MLS003107268|SMR001822141
| Molecular Formula | C16H20BrNO5 |
|---|---|
| Molecular Weight | 385.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 73.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.0525 |
| Heavy Atoms | 23 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 63554-16-5 |
|---|---|
| SMILES | CC(=O)NC1CC(OC(C1OC(=O)C2=CC=CC=C2)CBr)OC |
| InChIKey | JZLAUALBZXMLIS-UHFFFAOYSA-N |
Product Overview
[4-Acetamido-2-(bromomethyl)-6-methoxyoxan-3-yl] benzoate (CAS 63554-16-5), with molecular formula C16H20BrNO5 and molecular weight 385.05 g/mol. IUPAC: [4-acetamido-2-(bromomethyl)-6-methoxyoxan-3-yl] benzoate.
Chemical Property Profile of [4-Acetamido-2-(bromomethyl)-6-methoxyoxan-3-yl] benzoate
Property Insights of [4-Acetamido-2-(bromomethyl)-6-methoxyoxan-3-yl] benzoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-Acetamido-2-(bromomethyl)-6-methoxyoxan-3-yl] benzoate. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-Acetamido-2-(bromomethyl)-6-methoxyoxan-3-yl] benzoate. Following Lipinski's Rule of Five, [4-Acetamido-2-(bromomethyl)-6-methoxyoxan-3-yl] benzoate has 1 hydrogen bond donor(s) and 5 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 [4-Acetamido-2-(bromomethyl)-6-methoxyoxan-3-yl] benzoate?
The CAS number of [4-Acetamido-2-(bromomethyl)-6-methoxyoxan-3-yl] benzoate is 63554-16-5.
What is the molecular formula of [4-Acetamido-2-(bromomethyl)-6-methoxyoxan-3-yl] benzoate?
The molecular formula of [4-Acetamido-2-(bromomethyl)-6-methoxyoxan-3-yl] benzoate is C16H20BrNO5.
What is the molecular weight of [4-Acetamido-2-(bromomethyl)-6-methoxyoxan-3-yl] benzoate?
The molecular weight of [4-Acetamido-2-(bromomethyl)-6-methoxyoxan-3-yl] benzoate is 385.05 g/mol.
Where can I buy [4-Acetamido-2-(bromomethyl)-6-methoxyoxan-3-yl] benzoate?
You can request a quote for [4-Acetamido-2-(bromomethyl)-6-methoxyoxan-3-yl] benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-Acetamido-2-(bromomethyl)-6-methoxyoxan-3-yl] benzoate?
Yes, KEHONG BIO provides custom synthesis services for [4-Acetamido-2-(bromomethyl)-6-methoxyoxan-3-yl] benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.