[email protected]
CAS 1795137-54-0 N’-(4-AcetylaMinophenyl)-N,N-diMethylacetaMidine-d6 molecular structure lightbox
CAS RN: 1795137-54-0

N’-(4-AcetylaMinophenyl)-N,N-diMethylacetaMidine-d6

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251231 50mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1795137-54-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1795137-54-0 / N-[4-[1-[bis(trideuteriomethyl)amino]ethylideneamino]phenyl]acetamide

Standard CAS: 1795137-54-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1795137-54-0
Multi CAS
No
Molecular Formula
C12H17N3O
Molecular Weight
225.320000
Exact Mass
225.174823
SMILES
[2H]C([2H])([2H])N(C(=NC1=CC=C(C=C1)NC(=O)C)C)C([2H])([2H])[2H]
InChI
InChI=1S/C12H17N3O/c1-9(15(3)4)13-11-5-7-12(8-6-11)14-10(2)16/h5-8H,1-4H3,(H,14,16)/i3D3,4D3
InChIKey
HFXUSRXKBFHKMO-LIJFRPJRSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
67.2
TPSA
44.7

LogP / Solubility

WLOGP
2.26
MLOGP
1.99
XLogP3
0.7
Consensus LogP
1.65
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.2
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)
-2.46

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
1.5

Customers Also Viewed

Get In Touch

Contact Us