CAS RN: 171721-00-9
1,3,5-Tri-O-benzoyl-2-deoxy-2-fluoro-alpha-L-arabinofuranose
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250419 | 1g / 5g / 10g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS171721-00-9
- Purity/Analytical Methods: >99.0%
171721-00-9 / [(2S,3S,4R,5S)-3,5-dibenzoyloxy-4-fluorooxolan-2-yl]methyl benzoate
Basic Information
CAS
171721-00-9
Multi CAS
No
Molecular Formula
C26H21FO7
Molecular Weight
464.400000
Exact Mass
464.127131
SMILES
C1=CC=C(C=C1)C(=O)OC[C@H]2[C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC=CC=C3)F)OC(=O)C4=CC=CC=C4
InChI
InChI=1S/C26H21FO7/c27-21-22(33-24(29)18-12-6-2-7-13-18)20(16-31-23(28)17-10-4-1-5-11-17)32-26(21)34-25(30)19-14-8-3-9-15-19/h1-15,20-22,26H,16H2/t20-,21+,22-,26-/m0/s1
InChIKey
JOAHVPNLVYCSAN-MSZDEVHKSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.19
Rotatable bonds
7
H-bond acceptors
7
Molar refractivity
117.78
TPSA
88.13
LogP / Solubility
WLOGP
3.99
MLOGP
3.54
XLogP3
5.2
Consensus LogP
4.24
Log S (ESOL)
-5.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.83
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
![CAS 171722-92-2 piperidin-4-yl [1,1′-biphenyl]-2-ylcarbamate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
piperidin-4-yl [1,1′-biphenyl]-2-ylcarbamate
- CAS RN: 171722-92-2
- Product Code: SSC-075592
-
-
1-benzyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
- CAS RN: 171734-89-7
- Product Code: starshine_CAS171734-89-7
- Purity/Analytical method: >99.0%
-
-
GGTI-286
- CAS RN: 171744-11-9
- Product Code: starshine_CAS171744-11-9
- Purity/Analytical method: >99.0%
-
4-{[5,5-dimethyl-8-(4-methylphenyl)-5,6-dihydronaphthalen-2-yl]ethynyl}benzoic acid
- CAS RN: 171746-21-7
- Product Code: starshine_CAS171746-21-7
- Purity/Analytical method: >99.0%
![CAS 171722-92-2 piperidin-4-yl [1,1′-biphenyl]-2-ylcarbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/171722-92-2.gif)
![CAS 171734-89-7 1-benzyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/171734-89-7.gif)
![CAS 171746-21-7 4-{[5,5-dimethyl-8-(4-methylphenyl)-5,6-dihydronaphthalen-2-yl]ethynyl}benzoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/171746-21-7.gif)