![[(3R,4R,5S,6S)-4,5-dibenzoyloxy-6-cyanooxan-3-yl] benzoate structure](/static/products/130/13035-36-4.png)
[(3R,4R,5S,6S)-4,5-dibenzoyloxy-6-cyanooxan-3-yl] benzoate
TL;DR: [(3R,4R,5S,6S)-4,5-dibenzoyloxy-6-cyanooxan-3-yl] benzoate (CAS 13035-36-4) is a chemical compound with molecular formula C27H21NO7 and molecular weight 471.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,4R,5S,6S)-4,5-dibenzoyloxy-6-cyanooxan-3-yl] benzoate
Also Known As: J3.542.370B, (2-O,3-O,4-O-Tribenzoyl-beta-D-ribopyranosyl) cyanide, D-Allononitrile, 2,6-anhydro-, 3,4,5-tribenzoate (en), [(3R,4R,5S,6S)-4,5-dibenzoyloxy-6-cyanooxan-3-yl] benzoate, (2S,3S,4R,5R)-4,5-bis(benzoyloxy)-2-cyanooxan-3-yl benzoate
| Molecular Formula | C27H21NO7 |
|---|---|
| Molecular Weight | 471.13 g/mol |
| LogP | 3.58558 |
| Topological Polar Surface Area | 111.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 471.1318 |
| Heavy Atoms | 35 |
| Complexity | 1208.5419 |
Chemical Identifiers
| CAS Number | 13035-36-4 |
|---|---|
| SMILES | C1[C@H]([C@H]([C@H]([C@@H](O1)C#N)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4 |
Product Overview
[(3R,4R,5S,6S)-4,5-dibenzoyloxy-6-cyanooxan-3-yl] benzoate (CAS 13035-36-4), with molecular formula C27H21NO7 and molecular weight 471.13 g/mol. IUPAC: [(3R,4R,5S,6S)-4,5-dibenzoyloxy-6-cyanooxan-3-yl] benzoate.
Chemical Property Profile of [(3R,4R,5S,6S)-4,5-dibenzoyloxy-6-cyanooxan-3-yl] benzoate
Property Insights of [(3R,4R,5S,6S)-4,5-dibenzoyloxy-6-cyanooxan-3-yl] benzoate
The XLogP value of 3.58558 indicates that [(3R,4R,5S,6S)-4,5-dibenzoyloxy-6-cyanooxan-3-yl] benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.92 Ų falls within the moderate polarity range, balancing permeability and solubility for [(3R,4R,5S,6S)-4,5-dibenzoyloxy-6-cyanooxan-3-yl] benzoate. Following Lipinski's Rule of Five, [(3R,4R,5S,6S)-4,5-dibenzoyloxy-6-cyanooxan-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 [(3R,4R,5S,6S)-4,5-dibenzoyloxy-6-cyanooxan-3-yl] benzoate?
The CAS number of [(3R,4R,5S,6S)-4,5-dibenzoyloxy-6-cyanooxan-3-yl] benzoate is 13035-36-4.
What is the molecular formula of [(3R,4R,5S,6S)-4,5-dibenzoyloxy-6-cyanooxan-3-yl] benzoate?
The molecular formula of [(3R,4R,5S,6S)-4,5-dibenzoyloxy-6-cyanooxan-3-yl] benzoate is C27H21NO7.
What is the molecular weight of [(3R,4R,5S,6S)-4,5-dibenzoyloxy-6-cyanooxan-3-yl] benzoate?
The molecular weight of [(3R,4R,5S,6S)-4,5-dibenzoyloxy-6-cyanooxan-3-yl] benzoate is 471.13 g/mol.
Where can I buy [(3R,4R,5S,6S)-4,5-dibenzoyloxy-6-cyanooxan-3-yl] benzoate?
You can request a quote for [(3R,4R,5S,6S)-4,5-dibenzoyloxy-6-cyanooxan-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 [(3R,4R,5S,6S)-4,5-dibenzoyloxy-6-cyanooxan-3-yl] benzoate?
Yes, KEHONG BIO provides custom synthesis services for [(3R,4R,5S,6S)-4,5-dibenzoyloxy-6-cyanooxan-3-yl] benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.