[email protected]
CAS 137473-27-9 Ethyl 4-MethanesulfonylcinnaMate molecular structure lightbox
CAS RN: 137473-27-9

Ethyl 4-MethanesulfonylcinnaMate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251102 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS137473-27-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

137473-27-9 / ethyl (E)-3-(4-methylsulfonylphenyl)prop-2-enoate

Standard CAS: 137473-27-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
137473-27-9
Multi CAS
No
Molecular Formula
C12H14O4S
Molecular Weight
254.300000
Exact Mass
254.061280
SMILES
CCOC(=O)/C=C/C1=CC=C(C=C1)S(=O)(=O)C
InChI
InChI=1S/C12H14O4S/c1-3-16-12(13)9-6-10-4-7-11(8-5-10)17(2,14)15/h4-9H,3H2,1-2H3/b9-6+
InChIKey
YOUOTKHSWKCRQF-RMKNXTFCSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
65.22
TPSA
60.44

LogP / Solubility

WLOGP
1.67
MLOGP
1.47
XLogP3
2.2
Consensus LogP
1.78
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.18
Class (SILICOS-IT)
Poorly 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)
-3.09

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

Customers Also Viewed

Get In Touch

Contact Us