[email protected]
CAS 153850-83-0 4′-CHLORO-BIPHENYL-2-CARBALDEHYDE molecular structure lightbox
CAS RN: 153850-83-0

4′-CHLORO-BIPHENYL-2-CARBALDEHYDE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250510 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: LINC927121
GET A QUOTE

153850-83-0 / 2-(4-chlorophenyl)benzaldehyde

Standard CAS: 153850-83-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
153850-83-0
Multi CAS
No
Molecular Formula
C13H9ClO
Molecular Weight
216.660000
Exact Mass
216.034193
SMILES
C1=CC=C(C(=C1)C=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H9ClO/c14-12-7-5-10(6-8-12)13-4-2-1-3-11(13)9-15/h1-9H
InChIKey
IRBHAVWDSJLCAS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
62.28
TPSA
17.07

LogP / Solubility

WLOGP
3.82
MLOGP
3.36
XLogP3
3.9
Consensus LogP
3.69
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.33

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us