![[(2S,3S,4R,5R,6S)-2-(bromomethyl)-4,5-dihydroxy-6-methoxyoxan-3-yl] benzoate structure](/static/products/103/10368-81-7.png)
[(2S,3S,4R,5R,6S)-2-(bromomethyl)-4,5-dihydroxy-6-methoxyoxan-3-yl] benzoate
TL;DR: [(2S,3S,4R,5R,6S)-2-(bromomethyl)-4,5-dihydroxy-6-methoxyoxan-3-yl] benzoate (CAS 10368-81-7) is a chemical compound with molecular formula C14H17BrO6 and molecular weight 360.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S,4R,5R,6S)-2-(bromomethyl)-4,5-dihydroxy-6-methoxyoxan-3-yl] benzoate
Also Known As: methyl 4-O-benzoyl-6-bromo-6-deoxyhexopyranoside, AN-159/37208020, (2S,3S,4R,5R,6S)-2-(Bromomethyl)-4,5-dihydroxy-6-methoxytetrahydro-2H-pyran-3-yl benzoate, [(2S,3S,4R,5R,6S)-2-(bromomethyl)-4,5-dihydroxy-6-methoxyoxan-3-yl] benzoate, [(2S,3S,4R,5R,6S)-2-(bromomethyl)-6-methoxy-4,5-bis(oxidanyl)oxan-3-yl] benzoate
| Molecular Formula | C14H17BrO6 |
|---|---|
| Molecular Weight | 360.02 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 85.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.02084 |
| Heavy Atoms | 21 |
| Complexity | 465.79184 |
Chemical Identifiers
| CAS Number | 10368-81-7 |
|---|---|
| SMILES | CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CBr)OC(=O)C2=CC=CC=C2)O)O |
Product Overview
[(2S,3S,4R,5R,6S)-2-(bromomethyl)-4,5-dihydroxy-6-methoxyoxan-3-yl] benzoate (CAS 10368-81-7), with molecular formula C14H17BrO6 and molecular weight 360.02 g/mol. IUPAC: [(2S,3S,4R,5R,6S)-2-(bromomethyl)-4,5-dihydroxy-6-methoxyoxan-3-yl] benzoate.
Chemical Property Profile of [(2S,3S,4R,5R,6S)-2-(bromomethyl)-4,5-dihydroxy-6-methoxyoxan-3-yl] benzoate
Property Insights of [(2S,3S,4R,5R,6S)-2-(bromomethyl)-4,5-dihydroxy-6-methoxyoxan-3-yl] benzoate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(2S,3S,4R,5R,6S)-2-(bromomethyl)-4,5-dihydroxy-6-methoxyoxan-3-yl] benzoate. The TPSA of 85.22 Ų falls within the moderate polarity range, balancing permeability and solubility for [(2S,3S,4R,5R,6S)-2-(bromomethyl)-4,5-dihydroxy-6-methoxyoxan-3-yl] benzoate. Following Lipinski's Rule of Five, [(2S,3S,4R,5R,6S)-2-(bromomethyl)-4,5-dihydroxy-6-methoxyoxan-3-yl] benzoate has 2 hydrogen bond donor(s) and 6 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 [(2S,3S,4R,5R,6S)-2-(bromomethyl)-4,5-dihydroxy-6-methoxyoxan-3-yl] benzoate?
The CAS number of [(2S,3S,4R,5R,6S)-2-(bromomethyl)-4,5-dihydroxy-6-methoxyoxan-3-yl] benzoate is 10368-81-7.
What is the molecular formula of [(2S,3S,4R,5R,6S)-2-(bromomethyl)-4,5-dihydroxy-6-methoxyoxan-3-yl] benzoate?
The molecular formula of [(2S,3S,4R,5R,6S)-2-(bromomethyl)-4,5-dihydroxy-6-methoxyoxan-3-yl] benzoate is C14H17BrO6.
What is the molecular weight of [(2S,3S,4R,5R,6S)-2-(bromomethyl)-4,5-dihydroxy-6-methoxyoxan-3-yl] benzoate?
The molecular weight of [(2S,3S,4R,5R,6S)-2-(bromomethyl)-4,5-dihydroxy-6-methoxyoxan-3-yl] benzoate is 360.02 g/mol.
Where can I buy [(2S,3S,4R,5R,6S)-2-(bromomethyl)-4,5-dihydroxy-6-methoxyoxan-3-yl] benzoate?
You can request a quote for [(2S,3S,4R,5R,6S)-2-(bromomethyl)-4,5-dihydroxy-6-methoxyoxan-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 [(2S,3S,4R,5R,6S)-2-(bromomethyl)-4,5-dihydroxy-6-methoxyoxan-3-yl] benzoate?
Yes, KEHONG BIO provides custom synthesis services for [(2S,3S,4R,5R,6S)-2-(bromomethyl)-4,5-dihydroxy-6-methoxyoxan-3-yl] benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.