(3,4-Dibenzoyloxy-5-carbamothioyloxolan-2-yl)methyl benzoate
TL;DR: (3,4-Dibenzoyloxy-5-carbamothioyloxolan-2-yl)methyl benzoate (CAS 57944-10-2) is a chemical compound with molecular formula C27H23NO7S and molecular weight 505.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dibenzoyloxy-5-carbamothioyloxolan-2-yl)methyl benzoate
Also Known As: (3,4-dibenzoyloxy-5-carbamothioyloxolan-2-yl)methyl benzoate, 2,5-Anhydro-D-allonothioamide 3,4,6-Tribenzoate, (3,4-dibenzoyloxy-5-carbamothioyl-tetrahydrofuran-2-yl)methyl benzoate, 4-(Benzoyloxy)-2-[(benzoyloxy)methyl]-5-carbamothioyloxolan-3-yl benzoate
| Molecular Formula | C27H23NO7S |
|---|---|
| Molecular Weight | 505.12 g/mol |
| LogP | 3.3481 |
| Topological Polar Surface Area | 114.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 505.11954 |
| Heavy Atoms | 36 |
| Complexity | 1220.644 |
Chemical Identifiers
| CAS Number | 57944-10-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)C(=S)N)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4 |
Product Overview
(3,4-Dibenzoyloxy-5-carbamothioyloxolan-2-yl)methyl benzoate (CAS 57944-10-2), with molecular formula C27H23NO7S and molecular weight 505.12 g/mol. IUPAC: (3,4-dibenzoyloxy-5-carbamothioyloxolan-2-yl)methyl benzoate.
Chemical Property Profile of (3,4-Dibenzoyloxy-5-carbamothioyloxolan-2-yl)methyl benzoate
Property Insights of (3,4-Dibenzoyloxy-5-carbamothioyloxolan-2-yl)methyl benzoate
The XLogP value of 3.3481 indicates that (3,4-Dibenzoyloxy-5-carbamothioyloxolan-2-yl)methyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.15 Ų falls within the moderate polarity range, balancing permeability and solubility for (3,4-Dibenzoyloxy-5-carbamothioyloxolan-2-yl)methyl benzoate. Following Lipinski's Rule of Five, (3,4-Dibenzoyloxy-5-carbamothioyloxolan-2-yl)methyl benzoate has 1 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-carbamothioyloxolan-2-yl)methyl benzoate?
The CAS number of (3,4-Dibenzoyloxy-5-carbamothioyloxolan-2-yl)methyl benzoate is 57944-10-2.
What is the molecular formula of (3,4-Dibenzoyloxy-5-carbamothioyloxolan-2-yl)methyl benzoate?
The molecular formula of (3,4-Dibenzoyloxy-5-carbamothioyloxolan-2-yl)methyl benzoate is C27H23NO7S.
What is the molecular weight of (3,4-Dibenzoyloxy-5-carbamothioyloxolan-2-yl)methyl benzoate?
The molecular weight of (3,4-Dibenzoyloxy-5-carbamothioyloxolan-2-yl)methyl benzoate is 505.12 g/mol.
Where can I buy (3,4-Dibenzoyloxy-5-carbamothioyloxolan-2-yl)methyl benzoate?
You can request a quote for (3,4-Dibenzoyloxy-5-carbamothioyloxolan-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-carbamothioyloxolan-2-yl)methyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for (3,4-Dibenzoyloxy-5-carbamothioyloxolan-2-yl)methyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.