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CAS 5959-18-2 N-(4-aminobenzoyl)- D-Glutamic acid molecular structure lightbox
CAS RN: 5959-18-2

N-(4-aminobenzoyl)- D-Glutamic acid

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250517 100mg In stock Shanghai Inquiry
Batchno.20250205 250mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250103 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS5959-18-2
  • Purity/Analytical Methods: >99.0%
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5959-18-2 / 2-[(4-aminobenzoyl)amino]pentanedioic acid

Standard CAS: 5959-18-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5959-18-2
Multi CAS
Yes
Molecular Formula
C12H14N2O5
Molecular Weight
266.250000
Exact Mass
266.090272
InChI
InChI=1S/C12H14N2O5/c13-8-3-1-7(2-4-8)11(17)14-9(12(18)19)5-6-10(15)16/h1-4,9H,5-6,13H2,(H,14,17)(H,15,16)(H,18,19)/t9-/m1/s1
InChIKey
GADGMZDHLQLZRI-SECBINFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
4
Molar refractivity
66.61
TPSA
129.72

LogP / Solubility

WLOGP
0.32
MLOGP
0.29
Consensus LogP
0.2
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.37
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-4.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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