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CAS 10359-15-6 2-CYANO-SUCCINIC ACID DIETHYL ESTER molecular structure lightbox
CAS RN: 10359-15-6

2-CYANO-SUCCINIC ACID DIETHYL ESTER

  • Product code: SSC-005160
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 10359-15-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

10359-15-6 / diethyl 2-cyanobutanedioate

diethyl 2-cyanosuccinate | diethyl 2-cyanobutanedioate | 2-Cyano-succinic acid diethyl ester

Standard CAS: 10359-15-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
10359-15-6
Multi CAS
Yes
Molecular Formula
C9H13NO4
Molecular Weight
199.200000
Exact Mass
199.084458
SMILES
CCOC(=O)CC(C#N)C(=O)OCC
InChI
InChI=1S/C9H13NO4/c1-3-13-8(11)5-7(6-10)9(12)14-4-2/h7H,3-5H2,1-2H3
InChIKey
BYBZRPDCTRBPTM-UHFFFAOYSA-N
Synonyms
diethyl 2-cyanosuccinate diethyl 2-cyanobutanedioate 2-Cyano-succinic acid diethyl ester Butanedioic acid,2-cyano-, 1,4-diethyl ester NSC 79189

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.67
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
46.99
TPSA
76.39

LogP / Solubility

WLOGP
0.64
MLOGP
0.57
XLogP3
0.6
Consensus LogP
0.6
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-1.66
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.09
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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