CAS RN: 1069137-73-0
Succinimidyl (2R)-6-(Tetrahydro-2H-pyran-2-yloxy)-2,5,7,8-tetramethylchroman-2-carboxylate
Product Availability
Available package options are listed below.
1 package records1 with current stock
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251009 | 5mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: ICTS0599
1069137-73-0 / (2,5-dioxopyrrolidin-1-yl) (2R)-2,5,7,8-tetramethyl-6-(oxan-2-yloxy)-3,4-dihydrochromene-2-carboxylate
Succinimidyl (2R)-6-(Tetrahydro-2H-pyran-2-yloxy)-2,5,7,8-tetramethylchroman-2-carboxylate | (2,5-dioxopyrrolidin-1-yl) (2R)-2,5,7,8-tetramethyl-6-(oxan-2-yloxy)-3,4-dihydrochromene-2-carboxylate | 2,5-Dioxopyrrolidin-1-yl (2R)-2,5,7,8-tetramethyl-6-((tetrahydro-2H-pyran-2-yl)oxy)chromane-2-carboxylate
Basic Information
CAS
1069137-73-0
Multi CAS
Yes
Molecular Formula
C23H29NO7
Molecular Weight
431.500000
Exact Mass
431.194402
SMILES
CC1=C(C(=C(C2=C1O[C@@](CC2)(C)C(=O)ON3C(=O)CCC3=O)C)OC4CCCCO4)C
InChI
InChI=1S/C23H29NO7/c1-13-14(2)21-16(15(3)20(13)29-19-7-5-6-12-28-19)10-11-23(4,30-21)22(27)31-24-17(25)8-9-18(24)26/h19H,5-12H2,1-4H3/t19?,23-/m1/s1
InChIKey
WDEFWOPTRFWZLM-LEQGEALCSA-N
Synonyms
Succinimidyl (2R)-6-(Tetrahydro-2H-pyran-2-yloxy)-2,5,7,8-tetramethylchroman-2-carboxylate
(2,5-dioxopyrrolidin-1-yl) (2R)-2,5,7,8-tetramethyl-6-(oxan-2-yloxy)-3,4-dihydrochromene-2-carboxylate
2,5-Dioxopyrrolidin-1-yl (2R)-2,5,7,8-tetramethyl-6-((tetrahydro-2H-pyran-2-yl)oxy)chromane-2-carboxylate
C23H29NO7
MFCD11042683
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
4
H-bond acceptors
7
Molar refractivity
109.41
TPSA
91.37
LogP / Solubility
WLOGP
3.21
MLOGP
2.85
XLogP3
3.5
Consensus LogP
3.19
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.61
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.07
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
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