![CAS 1773493-87-0 Butanedioic acid, 2,3-bis[[(4-methylphenyl)sulfonyl]oxy]-, 1,4-dimethyl ester, (2R,3R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1773493-87-0.gif)
CAS RN: 1773493-87-0
Butanedioic acid, 2,3-bis[[(4-methylphenyl)sulfonyl]oxy]-, 1,4-dimethyl ester, (2R,3R)-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251014 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1773493-87-0
- Purity/Analytical Methods: >99.0%
1773493-87-0 / dimethyl (2R,3R)-2,3-bis-(4-methylphenyl)sulfonyloxybutanedioate
Basic Information
CAS
1773493-87-0
Multi CAS
No
Molecular Formula
C20H22O10S2
Molecular Weight
486.500000
Exact Mass
486.065439
SMILES
CC1=CC=C(C=C1)S(=O)(=O)O[C@H]([C@H](C(=O)OC)OS(=O)(=O)C2=CC=C(C=C2)C)C(=O)OC
InChI
InChI=1S/C20H22O10S2/c1-13-5-9-15(10-6-13)31(23,24)29-17(19(21)27-3)18(20(22)28-4)30-32(25,26)16-11-7-14(2)8-12-16/h5-12,17-18H,1-4H3/t17-,18-/m1/s1
InChIKey
RVDUUVRRIXEPGN-QZTJIDSGSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
9
H-bond acceptors
10
Molar refractivity
110.51
TPSA
139.34
LogP / Solubility
WLOGP
1.5
MLOGP
1.35
XLogP3
2.8
Consensus LogP
1.88
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.15
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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![CAS 1773513-29-3 1,1,1-Trifluoro-N-[(11bS)-8,9,10,11,12,13,14,15-octahydro-4-oxido-2,6-diphenyl-dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-yl]methanesulfonamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1773513-29-3.gif)
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