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CAS 13726-52-8 N-(4-AMINOBENZOYL)-L-GLUTAMIC ACID DIETHYL ESTER molecular structure lightbox
CAS RN: 13726-52-8

N-(4-AMINOBENZOYL)-L-GLUTAMIC ACID DIETHYL ESTER

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250806 5g / 10g Out of stock 5-7 business days Inquiry
  • Product code: SSC-046714
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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: 1g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 13726-52-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shenzhen Inquiry

13726-52-8 / diethyl (2S)-2-[(4-aminobenzoyl)amino]pentanedioate

Standard CAS: 13726-52-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13726-52-8
Multi CAS
No
Molecular Formula
C16H22N2O5
Molecular Weight
322.360000
Exact Mass
322.152872
SMILES
CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C16H22N2O5/c1-3-22-14(19)10-9-13(16(21)23-4-2)18-15(20)11-5-7-12(17)8-6-11/h5-8,13H,3-4,9-10,17H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKey
RJXFBLRRPYBPTM-ZDUSSCGKSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
2
Molar refractivity
84.61
TPSA
107.72

LogP / Solubility

WLOGP
1.27
MLOGP
1.14
XLogP3
1.4
Consensus LogP
1.27
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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