[email protected]
CAS 300831-20-3 ethyl (S)-2-acetamidonon-8-enoate, 97%(HPLC) molecular structure lightbox
CAS RN: 300831-20-3

ethyl (S)-2-acetamidonon-8-enoate, 97%(HPLC)

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260424 200mg Out of stock 5-7 business days Inquiry
  • Product code: LINS926812
GET A QUOTE

300831-20-3 / ethyl (2S)-2-acetamidonon-8-enoate

Standard CAS: 300831-20-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
300831-20-3
Multi CAS
No
Molecular Formula
C13H23NO3
Molecular Weight
241.330000
Exact Mass
241.167794
InChI
InChI=1S/C13H23NO3/c1-4-6-7-8-9-10-12(14-11(3)15)13(16)17-5-2/h4,12H,1,5-10H2,2-3H3,(H,14,15)/t12-/m0/s1
InChIKey
KGONZHSGCSNOBH-LBPRGKRZSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.69
Rotatable bonds
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.52
TPSA
55.4

LogP / Solubility

WLOGP
2.19
MLOGP
1.93
XLogP3
2.2
Consensus LogP
2.11
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.13
Class (SILICOS-IT)
Slightly 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)
-2.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us