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CAS 94-16-6 P-AMINOHIPPURIC ACID SODIUM SALT molecular structure lightbox
CAS RN: 94-16-6

P-AMINOHIPPURIC ACID SODIUM SALT

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250510 100mg / 200mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS94-16-6
  • Purity/Analytical Methods: >99.0%
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94-16-6 / sodium 2-[(4-aminobenzoyl)amino]acetate

Standard CAS: 94-16-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
94-16-6
Multi CAS
Yes
Molecular Formula
C9H9N2NAO3
Molecular Weight
216.170000
Exact Mass
216.051086
InChI
InChI=1S/C9H10N2O3.Na/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13;/h1-4H,5,10H2,(H,11,14)(H,12,13);/q;+1/p-1
InChIKey
UNZMYCAEMNVPHX-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
48.19
TPSA
95.25

LogP / Solubility

WLOGP
-4.25
MLOGP
-3.74
XLogP3
-4.25
Consensus LogP
-4.08
Log S (ESOL)
1.4
Class (ESOL)
Highly soluble
Log S (Ali)
1.73
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.1
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)
-7.05

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

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