[email protected]
CAS 928789-96-2 Sigamide molecular structure lightbox
CAS RN: 928789-96-2

Sigamide

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250327 50mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS928789-96-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

928789-96-2 / (2S)-N-(3,5-ditert-butylphenyl)-2-[formyl(methyl)amino]-3-methylbutanamide

Standard CAS: 928789-96-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
928789-96-2
Multi CAS
Yes
Molecular Formula
C21H34N2O2
Molecular Weight
346.500000
Exact Mass
346.262028
InChI
InChI=1S/C21H34N2O2/c1-14(2)18(23(9)13-24)19(25)22-17-11-15(20(3,4)5)10-16(12-17)21(6,7)8/h10-14,18H,1-9H3,(H,22,25)/t18-/m0/s1
InChIKey
OVKNTNIBDGTNQY-SFHVURJKSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
104.92
TPSA
49.41

LogP / Solubility

WLOGP
4.33
MLOGP
3.83
XLogP3
5.3
Consensus LogP
4.49
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.11
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us