(2S,3S,4R,6S)-2,3-bis(benzoyloxy)-6-methyloxan-4-yl benzoate
TL;DR: (2S,3S,4R,6S)-2,3-bis(benzoyloxy)-6-methyloxan-4-yl benzoate (CAS 132867-80-2) is a chemical compound with molecular formula C26H22O7 and molecular weight 446.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,5-dibenzoyloxyoxan-4-yl) benzoate
Also Known As: (2,5-dibenzoyloxyoxan-4-yl) benzoate, (2S,4S,5R)-Tetrahydro-2H-pyran-2,4,5-triyl tribenzoate, (2S,3S,4R,6S)-2,3-bis(benzoyloxy)-6-methyloxan-4-yl benzoate
| Molecular Formula | C26H22O7 |
|---|---|
| Molecular Weight | 446.14 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 446.13657 |
| Heavy Atoms | 33 |
| Complexity | 660.0 |
Chemical Identifiers
| CAS Number | 132867-80-2 |
|---|---|
| SMILES | C1C(C(COC1OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4 |
| InChIKey | HYQISMBJGQVBLA-UHFFFAOYSA-N |
Product Overview
(2S,3S,4R,6S)-2,3-bis(benzoyloxy)-6-methyloxan-4-yl benzoate (CAS 132867-80-2), with molecular formula C26H22O7 and molecular weight 446.14 g/mol. IUPAC: (2,5-dibenzoyloxyoxan-4-yl) benzoate.
Chemical Property Profile of (2S,3S,4R,6S)-2,3-bis(benzoyloxy)-6-methyloxan-4-yl benzoate
Property Insights of (2S,3S,4R,6S)-2,3-bis(benzoyloxy)-6-methyloxan-4-yl benzoate
The XLogP value of 5.2 indicates that (2S,3S,4R,6S)-2,3-bis(benzoyloxy)-6-methyloxan-4-yl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,3S,4R,6S)-2,3-bis(benzoyloxy)-6-methyloxan-4-yl benzoate. Following Lipinski's Rule of Five, (2S,3S,4R,6S)-2,3-bis(benzoyloxy)-6-methyloxan-4-yl benzoate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2S,3S,4R,6S)-2,3-bis(benzoyloxy)-6-methyloxan-4-yl benzoate?
The CAS number of (2S,3S,4R,6S)-2,3-bis(benzoyloxy)-6-methyloxan-4-yl benzoate is 132867-80-2.
What is the molecular formula of (2S,3S,4R,6S)-2,3-bis(benzoyloxy)-6-methyloxan-4-yl benzoate?
The molecular formula of (2S,3S,4R,6S)-2,3-bis(benzoyloxy)-6-methyloxan-4-yl benzoate is C26H22O7.
What is the molecular weight of (2S,3S,4R,6S)-2,3-bis(benzoyloxy)-6-methyloxan-4-yl benzoate?
The molecular weight of (2S,3S,4R,6S)-2,3-bis(benzoyloxy)-6-methyloxan-4-yl benzoate is 446.14 g/mol.
Where can I buy (2S,3S,4R,6S)-2,3-bis(benzoyloxy)-6-methyloxan-4-yl benzoate?
You can request a quote for (2S,3S,4R,6S)-2,3-bis(benzoyloxy)-6-methyloxan-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 (2S,3S,4R,6S)-2,3-bis(benzoyloxy)-6-methyloxan-4-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for (2S,3S,4R,6S)-2,3-bis(benzoyloxy)-6-methyloxan-4-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.