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CAS 26936-24-3 2-Propenoic acid, 2-methyl-, polymer with methyl 2-methyl-2-propenoate and methyl 2-propenoate molecular structure lightbox
CAS RN: 26936-24-3

2-Propenoic acid, 2-methyl-, polymer with methyl 2-methyl-2-propenoate and methyl 2-propenoate

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250518 200mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS26936-24-3
  • Purity/Analytical Methods: >99.0%
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26936-24-3 / methyl 2-methylprop-2-enoate;methyl prop-2-enoate;2-methylprop-2-enoic acid

Standard CAS: 26936-24-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26936-24-3
Multi CAS
No
Molecular Formula
C13H20O6
Molecular Weight
272.290000
Exact Mass
272.125988
SMILES
CC(=C)C(=O)O.CC(=C)C(=O)OC.COC(=O)C=C
InChI
InChI=1S/C5H8O2.2C4H6O2/c1-4(2)5(6)7-3;1-3-4(5)6-2;1-3(2)4(5)6/h1H2,2-3H3;3H,1H2,2H3;1H2,2H3,(H,5,6)
InChIKey
NZEXUPLJXSDMCK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.31
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
71.49
TPSA
89.9

LogP / Solubility

WLOGP
1.73
MLOGP
1.53
XLogP3
1.73
Consensus LogP
1.66
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.15

Drug-likeness / Medicinal Chemistry

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

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