[5-Azido-2-methoxy-4-(4-methylphenyl)sulfonyloxyoxan-3-yl] benzoate
TL;DR: [5-Azido-2-methoxy-4-(4-methylphenyl)sulfonyloxyoxan-3-yl] benzoate (CAS 3877-40-5) is a chemical compound with molecular formula C20H21N3O7S and molecular weight 447.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-azido-2-methoxy-4-(4-methylphenyl)sulfonyloxyoxan-3-yl] benzoate
Also Known As: [5-azido-2-methoxy-4-(4-methylphenyl)sulfonyloxyoxan-3-yl] benzoate|[5-azido-2-methoxy-4-(4-methylphenyl)sulfonyloxy-oxan-3-yl] Benzoate|Methyl 4-azido-2-O-benzoyl-4-deoxy-3-O-(4-methylbenzene-1-sulfonyl)pentopyranoside
| Molecular Formula | C20H21N3O7S |
|---|---|
| Molecular Weight | 447.11 g/mol |
| LogP | 2.97612 |
| Topological Polar Surface Area | 136.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 447.11002 |
| Heavy Atoms | 31 |
| Complexity | 1053.9409 |
Chemical Identifiers
| CAS Number | 3877-40-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2C(COC(C2OC(=O)C3=CC=CC=C3)OC)N=[N+]=[N-] |
Product Overview
[5-Azido-2-methoxy-4-(4-methylphenyl)sulfonyloxyoxan-3-yl] benzoate (CAS 3877-40-5), with molecular formula C20H21N3O7S and molecular weight 447.11 g/mol. IUPAC: [5-azido-2-methoxy-4-(4-methylphenyl)sulfonyloxyoxan-3-yl] benzoate.
Chemical Property Profile of [5-Azido-2-methoxy-4-(4-methylphenyl)sulfonyloxyoxan-3-yl] benzoate
Property Insights of [5-Azido-2-methoxy-4-(4-methylphenyl)sulfonyloxyoxan-3-yl] benzoate
The XLogP value of 2.97612 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [5-Azido-2-methoxy-4-(4-methylphenyl)sulfonyloxyoxan-3-yl] benzoate. The TPSA of 136.89 Ų falls within the moderate polarity range, balancing permeability and solubility for [5-Azido-2-methoxy-4-(4-methylphenyl)sulfonyloxyoxan-3-yl] benzoate. Following Lipinski's Rule of Five, [5-Azido-2-methoxy-4-(4-methylphenyl)sulfonyloxyoxan-3-yl] benzoate has 0 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 [5-Azido-2-methoxy-4-(4-methylphenyl)sulfonyloxyoxan-3-yl] benzoate?
The CAS number of [5-Azido-2-methoxy-4-(4-methylphenyl)sulfonyloxyoxan-3-yl] benzoate is 3877-40-5.
What is the molecular formula of [5-Azido-2-methoxy-4-(4-methylphenyl)sulfonyloxyoxan-3-yl] benzoate?
The molecular formula of [5-Azido-2-methoxy-4-(4-methylphenyl)sulfonyloxyoxan-3-yl] benzoate is C20H21N3O7S.
What is the molecular weight of [5-Azido-2-methoxy-4-(4-methylphenyl)sulfonyloxyoxan-3-yl] benzoate?
The molecular weight of [5-Azido-2-methoxy-4-(4-methylphenyl)sulfonyloxyoxan-3-yl] benzoate is 447.11 g/mol.
Where can I buy [5-Azido-2-methoxy-4-(4-methylphenyl)sulfonyloxyoxan-3-yl] benzoate?
You can request a quote for [5-Azido-2-methoxy-4-(4-methylphenyl)sulfonyloxyoxan-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 [5-Azido-2-methoxy-4-(4-methylphenyl)sulfonyloxyoxan-3-yl] benzoate?
Yes, KEHONG BIO provides custom synthesis services for [5-Azido-2-methoxy-4-(4-methylphenyl)sulfonyloxyoxan-3-yl] benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.