(3-Benzoyloxy-5-benzoylsulfanyl-2-methoxyoxan-4-yl) benzoate
TL;DR: (3-Benzoyloxy-5-benzoylsulfanyl-2-methoxyoxan-4-yl) benzoate (CAS 15121-15-0) is a chemical compound with molecular formula C27H24O7S and molecular weight 492.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzoyloxy-5-benzoylsulfanyl-2-methoxyoxan-4-yl) benzoate
Also Known As: Xylopyranoside, tribenzoate, .alpha.-D-, (3-benzoyloxy-5-benzoylsulfanyl-2-methoxyoxan-4-yl) benzoate, methyl 2,3-di-o-benzoyl-4-s-benzoyl-4-thiopentopyranoside, Methyl 2-O,3-O,4-S-tribenzoyl-4-thio-alpha-D-xylopyranoside, Xylopyranoside, methyl 4-thio-, tribenzoate, .alpha.-D-
| Molecular Formula | C27H24O7S |
|---|---|
| Molecular Weight | 492.12 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 492.12427 |
| Heavy Atoms | 35 |
| Complexity | 710.0 |
Chemical Identifiers
| CAS Number | 15121-15-0 |
|---|---|
| SMILES | COC1C(C(C(CO1)SC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4 |
| InChIKey | NYATZIDVXFPXKZ-UHFFFAOYSA-N |
Product Overview
(3-Benzoyloxy-5-benzoylsulfanyl-2-methoxyoxan-4-yl) benzoate (CAS 15121-15-0), with molecular formula C27H24O7S and molecular weight 492.12 g/mol. IUPAC: (3-benzoyloxy-5-benzoylsulfanyl-2-methoxyoxan-4-yl) benzoate.
Chemical Property Profile of (3-Benzoyloxy-5-benzoylsulfanyl-2-methoxyoxan-4-yl) benzoate
Property Insights of (3-Benzoyloxy-5-benzoylsulfanyl-2-methoxyoxan-4-yl) benzoate
The XLogP value of 5.3 indicates that (3-Benzoyloxy-5-benzoylsulfanyl-2-methoxyoxan-4-yl) benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Benzoyloxy-5-benzoylsulfanyl-2-methoxyoxan-4-yl) benzoate. Following Lipinski's Rule of Five, (3-Benzoyloxy-5-benzoylsulfanyl-2-methoxyoxan-4-yl) benzoate has 0 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-Benzoyloxy-5-benzoylsulfanyl-2-methoxyoxan-4-yl) benzoate?
The CAS number of (3-Benzoyloxy-5-benzoylsulfanyl-2-methoxyoxan-4-yl) benzoate is 15121-15-0.
What is the molecular formula of (3-Benzoyloxy-5-benzoylsulfanyl-2-methoxyoxan-4-yl) benzoate?
The molecular formula of (3-Benzoyloxy-5-benzoylsulfanyl-2-methoxyoxan-4-yl) benzoate is C27H24O7S.
What is the molecular weight of (3-Benzoyloxy-5-benzoylsulfanyl-2-methoxyoxan-4-yl) benzoate?
The molecular weight of (3-Benzoyloxy-5-benzoylsulfanyl-2-methoxyoxan-4-yl) benzoate is 492.12 g/mol.
Where can I buy (3-Benzoyloxy-5-benzoylsulfanyl-2-methoxyoxan-4-yl) benzoate?
You can request a quote for (3-Benzoyloxy-5-benzoylsulfanyl-2-methoxyoxan-4-yl) benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Benzoyloxy-5-benzoylsulfanyl-2-methoxyoxan-4-yl) benzoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Benzoyloxy-5-benzoylsulfanyl-2-methoxyoxan-4-yl) benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.