![CAS 1206524-79-9 1,2-Pyrrolidinedicarboxylic acid, 4-[(3-chloro-7-Methoxy-2-quinoxalinyl)oxy]-, 1-(1,1-diMethylethyl) 2-Methyl ester,(2S,4R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1206524-79-9.gif)
CAS RN: 1206524-79-9
1,2-Pyrrolidinedicarboxylic acid, 4-[(3-chloro-7-Methoxy-2-quinoxalinyl)oxy]-, 1-(1,1-diMethylethyl) 2-Methyl ester,(2S,4R)-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260217 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1206524-79-9
- Purity/Analytical Methods: >99.0%
1206524-79-9 / 1-O-tert-butyl 2-O-methyl (2S,4R)-4-(3-chloro-7-methoxyquinoxalin-2-yl)oxypyrrolidine-1,2-dicarboxylate
1,2-Pyrrolidinedicarboxylic acid, 4-[(3-chloro-7-methoxy-2-quinoxalinyl)oxy]-, 1-(1,1-dimethylethyl) 2-methyl ester,(2S,4R)- | 1-(tert-Butyl) 2-methyl (2S,4R)-4-((3-chloro-7-methoxyquinoxalin-2-yl)oxy)pyrrolidine-1,2-dicarboxylate | (2S,4R)-1-tert-butyl 2-methyl 4-((3-chloro-7-methoxyquinoxalin-2-yl)oxy)pyrrolidine-1,2-dicarboxylate
Basic Information
CAS
1206524-79-9
Multi CAS
Yes
Molecular Formula
C20H24ClN3O6
Molecular Weight
437.900000
Exact Mass
437.135363
SMILES
CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)OC)OC2=NC3=C(C=CC(=C3)OC)N=C2Cl
InChI
InChI=1S/C20H24ClN3O6/c1-20(2,3)30-19(26)24-10-12(9-15(24)18(25)28-5)29-17-16(21)22-13-7-6-11(27-4)8-14(13)23-17/h6-8,12,15H,9-10H2,1-5H3/t12-,15+/m1/s1
InChIKey
ZYJYPPYJVAFFOX-DOMZBBRYSA-N
Synonyms
1,2-Pyrrolidinedicarboxylic acid, 4-[(3-chloro-7-methoxy-2-quinoxalinyl)oxy]-, 1-(1,1-dimethylethyl) 2-methyl ester,(2S,4R)-
1-(tert-Butyl) 2-methyl (2S,4R)-4-((3-chloro-7-methoxyquinoxalin-2-yl)oxy)pyrrolidine-1,2-dicarboxylate
(2S,4R)-1-tert-butyl 2-methyl 4-((3-chloro-7-methoxyquinoxalin-2-yl)oxy)pyrrolidine-1,2-dicarboxylate
(2S,4R)-4-[(3-Chloro-7-methoxy-2-quinoxalinyl)oxy]-,1-(1,1-dimethylethyl),- 1,2-Pyrrolidinedicarboxylic Acid 2-Methyl Ester
1-O-tert-butyl 2-O-methyl (2S,4R)-4-(3-chloro-7-methoxyquinoxalin-2-yl)oxypyrrolidine-1,2-dicarboxylate
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
8
Molar refractivity
108.88
TPSA
100.08
LogP / Solubility
WLOGP
3.22
MLOGP
2.86
XLogP3
3.5
Consensus LogP
3.19
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.66
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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