[email protected]
CAS 18201-65-5 DICHLOROPHENYL-ABA molecular structure lightbox
CAS RN: 18201-65-5

DICHLOROPHENYL-ABA

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250228 100mg In stock Shanghai Inquiry
Batchno.20250429 10mg In stock Shanghai Inquiry
Batchno.20260524 1mg In stock Shanghai Inquiry
Batchno.20250729 250mg In stock Shanghai Inquiry
Batchno.20250612 25mg In stock Shanghai Inquiry
Batchno.20251112 50mg In stock Shanghai Inquiry
Batchno.20250912 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS18201-65-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

18201-65-5 / 2-(3,5-dichloroanilino)benzoic acid

Standard CAS: 18201-65-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18201-65-5
Multi CAS
No
Molecular Formula
C13H9Cl2NO2
Molecular Weight
282.120000
Exact Mass
281.001034
SMILES
C1=CC=C(C(=C1)C(=O)O)NC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C13H9Cl2NO2/c14-8-5-9(15)7-10(6-8)16-12-4-2-1-3-11(12)13(17)18/h1-7,16H,(H,17,18)
InChIKey
FNGSQOJHNAYHAT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
73.15
TPSA
49.33

LogP / Solubility

WLOGP
4.44
MLOGP
3.91
XLogP3
6.2
Consensus LogP
4.85
Log S (ESOL)
-4.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.54
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
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