[email protected]
CAS 126926-36-1 Benzamide,3-formyl-N,N-dimethyl- molecular structure lightbox
CAS RN: 126926-36-1

Benzamide,3-formyl-N,N-dimethyl-

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260429 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS126926-36-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

126926-36-1 / 3-formyl-N,N-dimethylbenzamide

Standard CAS: 126926-36-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
126926-36-1
Multi CAS
No
Molecular Formula
C10H11NO2
Molecular Weight
177.200000
Exact Mass
177.078979
SMILES
CN(C)C(=O)C1=CC=CC(=C1)C=O
InChI
InChI=1S/C10H11NO2/c1-11(2)10(13)9-5-3-4-8(6-9)7-12/h3-7H,1-2H3
InChIKey
MYTDKUFZGNDHRL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
49.85
TPSA
37.38

LogP / Solubility

WLOGP
1.2
MLOGP
1.05
XLogP3
0.5
Consensus LogP
0.92
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.05
Class (SILICOS-IT)
Moderately 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)
-2.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us