[email protected]
CAS 1350475-36-3 N-(2-Chloro-4-Formyl-5-Hydroxy-Phenyl)-Acetamide molecular structure lightbox
CAS RN: 1350475-36-3

N-(2-Chloro-4-Formyl-5-Hydroxy-Phenyl)-Acetamide

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250925 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1350475-36-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1350475-36-3 / N-(2-chloro-4-formyl-5-hydroxyphenyl)acetamide

Standard CAS: 1350475-36-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1350475-36-3
Multi CAS
No
Molecular Formula
C9H8ClNO3
Molecular Weight
213.620000
Exact Mass
213.019271
SMILES
CC(=O)NC1=C(C=C(C(=C1)O)C=O)Cl
InChI
InChI=1S/C9H8ClNO3/c1-5(13)11-8-3-9(14)6(4-12)2-7(8)10/h2-4,14H,1H3,(H,11,13)
InChIKey
KHUXVOSEJIBVNS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
52.81
TPSA
66.4

LogP / Solubility

WLOGP
1.82
MLOGP
1.6
XLogP3
1.4
Consensus LogP
1.61
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
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)
-2.73

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