[email protected]
CAS 145235-85-4 Methyl (Z)-2-acetaMido-3-(4-acetoxy-2,6-diMethylphenyl)-2-propenoate molecular structure lightbox
CAS RN: 145235-85-4

Methyl (Z)-2-acetaMido-3-(4-acetoxy-2,6-diMethylphenyl)-2-propenoate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250507 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS145235-85-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

145235-85-4 / methyl (Z)-2-acetamido-3-(4-acetyloxy-2,6-dimethylphenyl)prop-2-enoate

Standard CAS: 145235-85-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
145235-85-4
Multi CAS
No
Molecular Formula
C16H19NO5
Molecular Weight
305.320000
Exact Mass
305.126323
SMILES
CC1=CC(=CC(=C1/C=C(/C(=O)OC)\NC(=O)C)C)OC(=O)C
InChI
InChI=1S/C16H19NO5/c1-9-6-13(22-12(4)19)7-10(2)14(9)8-15(16(20)21-5)17-11(3)18/h6-8H,1-5H3,(H,17,18)/b15-8-
InChIKey
PDNQTSIFHHZKQF-NVNXTCNLSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
81.03
TPSA
81.7

LogP / Solubility

WLOGP
1.88
MLOGP
1.67
XLogP3
2.1
Consensus LogP
1.88
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.25

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us