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CAS 21477-59-8 2-Butenoic acid,4-(cyclohexylamino)-4-oxo-, (2Z)- molecular structure lightbox
CAS RN: 21477-59-8

2-Butenoic acid,4-(cyclohexylamino)-4-oxo-, (2Z)-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260624 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-102966
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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 21477-59-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

21477-59-8 / (Z)-4-(cyclohexylamino)-4-oxobut-2-enoic acid

Standard CAS: 21477-59-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21477-59-8
Multi CAS
No
Molecular Formula
C10H15NO3
Molecular Weight
197.230000
Exact Mass
197.105193
SMILES
C1CCC(CC1)NC(=O)/C=C\C(=O)O
InChI
InChI=1S/C10H15NO3/c12-9(6-7-10(13)14)11-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,11,12)(H,13,14)/b7-6-
InChIKey
DEWAGGNAHQGYBD-SREVYHEPSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.79
TPSA
66.4

LogP / Solubility

WLOGP
1.08
MLOGP
0.95
XLogP3
1.1
Consensus LogP
1.04
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.2
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)
-3.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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