[email protected]
CAS 138-84-1 P-AMINOBENZOIC ACID POTASSIUM SALT molecular structure lightbox
CAS RN: 138-84-1

P-AMINOBENZOIC ACID POTASSIUM SALT

  • Product code: SSC-047958
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 100g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 138-84-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shenzhen Inquiry

138-84-1 / potassium 4-aminobenzoate

Standard CAS: 138-84-1 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
138-84-1
Multi CAS
No
Molecular Formula
C7H6KNO2
Molecular Weight
175.230000
Exact Mass
175.003560
SMILES
C1=CC(=CC=C1C(=O)[O-])N.[K+]
InChI
InChI=1S/C7H7NO2.K/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,8H2,(H,9,10);/q;+1/p-1
InChIKey
MZKKJVZIFIQOPP-UHFFFAOYSA-M

Physical Properties

Physical Description
Solid; [Merck Index]
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
35.18
TPSA
66.15

LogP / Solubility

WLOGP
-3.36
MLOGP
-2.96
XLogP3
-3.36
Consensus LogP
-3.23
Log S (ESOL)
0.86
Class (ESOL)
Highly soluble
Log S (Ali)
1.43
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.87
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.18

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