[email protected]
CAS 7346-46-5 METHYL 2-CHLORO-ALPHA-CYANOHYDROCINNAMATE molecular structure lightbox
CAS RN: 7346-46-5

METHYL 2-CHLORO-ALPHA-CYANOHYDROCINNAMATE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250905 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS7346-46-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

7346-46-5 / methyl 3-(2-chlorophenyl)-2-cyanopropanoate

Standard CAS: 7346-46-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7346-46-5
Multi CAS
Yes
Molecular Formula
C11H10CLNO2
Molecular Weight
223.650000
Exact Mass
223.040006
InChI
InChI=1S/C11H10ClNO2/c1-15-11(14)9(7-13)6-8-4-2-3-5-10(8)12/h2-5,9H,6H2,1H3
InChIKey
UINYMUPWCAHBKX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
56.28
TPSA
50.09

LogP / Solubility

WLOGP
2.2
MLOGP
1.93
XLogP3
2.6
Consensus LogP
2.24
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.3
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)
-2.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us