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CAS 2791-84-6 L-Glutamic acid dibenzyl ester 4-toluenesulfonate molecular structure lightbox
CAS RN: 2791-84-6

L-Glutamic acid dibenzyl ester 4-toluenesulfonate

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250605 100g In stock Inquiry
Batchno.20250818 25g In stock Inquiry
Batchno.20250120 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250227 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
  • Product code: SSC-128339
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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: 100g
  • Available purity: ≥97%
  • 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 2791-84-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Beijing Inquiry

2791-84-6 / [(2S)-1,5-dioxo-1,5-bis(phenylmethoxy)pentan-2-yl]azanium;4-methylbenzenesulfonate

Standard CAS: 2791-84-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
2791-84-6
Multi CAS
Yes
Molecular Formula
C26H29NO7S
Molecular Weight
499.600000
Exact Mass
499.166473
InChI
InChI=1S/C19H21NO4.C7H8O3S/c20-17(19(22)24-14-16-9-5-2-6-10-16)11-12-18(21)23-13-15-7-3-1-4-8-15;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,17H,11-14,20H2;2-5H,1H3,(H,8,9,10)/t17-;/m0./s1
InChIKey
HVZUAIVKRYGQRM-LMOVPXPDSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
18
Fraction Csp3
0.23
Rotatable bonds
9
H-bond acceptors
7
H-bond donors
1
Molar refractivity
127.53
TPSA
137.44

LogP / Solubility

WLOGP
2.76
MLOGP
2.47
XLogP3
2.76
Consensus LogP
2.66
Log S (ESOL)
-4.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.28
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.81

Drug-likeness / Medicinal Chemistry

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

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