CAS RN: 874638-80-9
((2R,3R,4R)-3-(benzoyloxy)-4-fluoro-4-methyl-5-oxotetrahydrofuran-2-yl)methyl benzoate
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-197456
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 25g, 10g, 100g
- Available purity: ≥95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 5 In Stock | Shanghai | Inquiry |
| 5g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 25g | ≥95% | 5 In Stock | Shenzhen | Inquiry |
| 10g | ≥95% | 3 In Stock | Shenzhen | Inquiry |
| 100g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
874638-80-9 / [(2R,3R,4R)-3-benzoyloxy-4-fluoro-4-methyl-5-oxooxolan-2-yl]methyl benzoate
Basic Information
CAS
874638-80-9
Multi CAS
Yes
Molecular Formula
C20FH17O6
Molecular Weight
372.300000
Exact Mass
372.100916
InChI
InChI=1S/C20H17FO6/c1-20(21)16(27-18(23)14-10-6-3-7-11-14)15(26-19(20)24)12-25-17(22)13-8-4-2-5-9-13/h2-11,15-16H,12H2,1H3/t15-,16-,20-/m1/s1
InChIKey
OUKYMZJNLWKCSO-JXXFODFXSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
91.76
TPSA
78.9
LogP / Solubility
WLOGP
2.72
MLOGP
2.42
XLogP3
3.7
Consensus LogP
2.95
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.94
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.06
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
4
Customers Also Viewed
-
(2R,3R,4R,5S)-5-(4-benzaMido-2-oxopyriMidin-1(2H)-yl)-2-((benzoyloxy)Methyl)-4-fluoro-4-Methyltetrahydrofuran-3-yl benzoate
- CAS RN: 874638-94-5
- Product Code: starshine_CAS874638-94-5
- Purity/Analytical method: >99.0%
-
Cytidine, N-benzoyl-2′-deoxy-2′-fluoro-2′-Methyl-, (2’R)- (9CI)
- CAS RN: 874638-98-9
- Product Code: starshine_CAS874638-98-9
- Purity/Analytical method: >99.0%
-
-
-
(6aR,10aR)-3-(6-imidazol-1-yl-2-methylhexan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol:hydrochloride
- CAS RN: 874745-43-4
- Product Code: starshine_CAS874745-43-4
- Purity/Analytical method: >99.0%
-
6-AMINO-5-(CHLOROACETYL)-1-CYCLOPROPYLPYRIMIDINE-2,4(1H,3H)-DIONE
- CAS RN: 874754-20-8
- Product Code: SSC-197466
![CAS 874745-43-4 (6aR,10aR)-3-(6-imidazol-1-yl-2-methylhexan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol:hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/874745-43-4.gif)
