[email protected]
CAS 959746-77-1 CyclopropanecarboxaMide, N-[3-(2-Methoxyethyl)-4,5-diMethyl-2(3H)-thiazolylidene]-2,2,3,3-tetraMethyl-, [N(Z)]- molecular structure lightbox
CAS RN: 959746-77-1

CyclopropanecarboxaMide, N-[3-(2-Methoxyethyl)-4,5-diMethyl-2(3H)-thiazolylidene]-2,2,3,3-tetraMethyl-, [N(Z)]-

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250427 1mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS959746-77-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

959746-77-1 / N-[3-(2-methoxyethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-2,2,3,3-tetramethylcyclopropane-1-carboxamide

Standard CAS: 959746-77-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
959746-77-1
Multi CAS
No
Molecular Formula
C16H26N2O2S
Molecular Weight
310.500000
Exact Mass
310.171499
InChI
InChI=1S/C16H26N2O2S/c1-10-11(2)21-14(18(10)8-9-20-7)17-13(19)12-15(3,4)16(12,5)6/h12H,8-9H2,1-7H3
InChIKey
JKGIMVBQKSRTGX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
5
Fraction Csp3
0.75
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
85.28
TPSA
43.59

LogP / Solubility

WLOGP
2.92
MLOGP
2.58
XLogP3
3.2
Consensus LogP
2.9
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us