![[3,4-Dibenzoyloxy-5-(carbamothioylamino)oxolan-2-yl]methyl benzoate structure](/static/products/7145/71454-43-8.webp)
[3,4-Dibenzoyloxy-5-(carbamothioylamino)oxolan-2-yl]methyl benzoate
TL;DR: [3,4-Dibenzoyloxy-5-(carbamothioylamino)oxolan-2-yl]methyl benzoate (CAS 71454-43-8) is a chemical compound with molecular formula C27H24N2O7S and molecular weight 520.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4-dibenzoyloxy-5-(carbamothioylamino)oxolan-2-yl]methyl benzoate
Also Known As: [3,4-dibenzoyloxy-5-(carbamothioylamino)oxolan-2-yl]methyl benzoate|2,3,5-Tri-O-benzoyl-N-carbamothioylpentofuranosylamine
| Molecular Formula | C27H24N2O7S |
|---|---|
| Molecular Weight | 520.13 g/mol |
| LogP | 2.8527 |
| Topological Polar Surface Area | 126.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 520.13043 |
| Heavy Atoms | 37 |
| Complexity | 1241.3839 |
Chemical Identifiers
| CAS Number | 71454-43-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)NC(=S)N)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4 |
Product Overview
[3,4-Dibenzoyloxy-5-(carbamothioylamino)oxolan-2-yl]methyl benzoate (CAS 71454-43-8), with molecular formula C27H24N2O7S and molecular weight 520.13 g/mol. IUPAC: [3,4-dibenzoyloxy-5-(carbamothioylamino)oxolan-2-yl]methyl benzoate.
Chemical Property Profile of [3,4-Dibenzoyloxy-5-(carbamothioylamino)oxolan-2-yl]methyl benzoate
Property Insights of [3,4-Dibenzoyloxy-5-(carbamothioylamino)oxolan-2-yl]methyl benzoate
The XLogP value of 2.8527 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3,4-Dibenzoyloxy-5-(carbamothioylamino)oxolan-2-yl]methyl benzoate. The TPSA of 126.18 Ų falls within the moderate polarity range, balancing permeability and solubility for [3,4-Dibenzoyloxy-5-(carbamothioylamino)oxolan-2-yl]methyl benzoate. Following Lipinski's Rule of Five, [3,4-Dibenzoyloxy-5-(carbamothioylamino)oxolan-2-yl]methyl benzoate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [3,4-Dibenzoyloxy-5-(carbamothioylamino)oxolan-2-yl]methyl benzoate?
The CAS number of [3,4-Dibenzoyloxy-5-(carbamothioylamino)oxolan-2-yl]methyl benzoate is 71454-43-8.
What is the molecular formula of [3,4-Dibenzoyloxy-5-(carbamothioylamino)oxolan-2-yl]methyl benzoate?
The molecular formula of [3,4-Dibenzoyloxy-5-(carbamothioylamino)oxolan-2-yl]methyl benzoate is C27H24N2O7S.
What is the molecular weight of [3,4-Dibenzoyloxy-5-(carbamothioylamino)oxolan-2-yl]methyl benzoate?
The molecular weight of [3,4-Dibenzoyloxy-5-(carbamothioylamino)oxolan-2-yl]methyl benzoate is 520.13 g/mol.
Where can I buy [3,4-Dibenzoyloxy-5-(carbamothioylamino)oxolan-2-yl]methyl benzoate?
You can request a quote for [3,4-Dibenzoyloxy-5-(carbamothioylamino)oxolan-2-yl]methyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3,4-Dibenzoyloxy-5-(carbamothioylamino)oxolan-2-yl]methyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for [3,4-Dibenzoyloxy-5-(carbamothioylamino)oxolan-2-yl]methyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.