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CAS 105590-97-4 H-GLU(OBZL)-OTBU HCL molecular structure lightbox
CAS RN: 105590-97-4

H-GLU(OBZL)-OTBU HCL

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260621 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-007294
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g
  • Available purity: ≥98%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 105590-97-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 5 In Stock Hong Kong Inquiry
5g ≥98% 0 Out of Stock Shenzhen Inquiry
10g ≥98% 0 Out of Stock Hong Kong Inquiry
25g ≥98% 0 Out of Stock Hong Kong Inquiry

105590-97-4 / 5-O-benzyl 1-O-tert-butyl (2S)-2-aminopentanedioate;hydrochloride

L-Glutamic acid alpha-t-butyl-delta-benzyl ester hydrochloride | RefChem:796291 | 869-433-8

Standard CAS: 105590-97-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
105590-97-4
Multi CAS
Yes
Molecular Formula
C16H24ClNO4
Molecular Weight
329.820000
Exact Mass
329.139386
SMILES
CC(C)(C)OC(=O)[C@H](CCC(=O)OCC1=CC=CC=C1)N.Cl
InChI
InChI=1S/C16H23NO4.ClH/c1-16(2,3)21-15(19)13(17)9-10-14(18)20-11-12-7-5-4-6-8-12;/h4-8,13H,9-11,17H2,1-3H3;1H/t13-;/m0./s1
InChIKey
TWBZXIOAVCJDKR-ZOWNYOTGSA-N
Synonyms
L-Glutamic acid alpha-t-butyl-delta-benzyl ester hydrochloride RefChem:796291 869-433-8 H-Glu(OBzl)-OtBu HCl (S)-5-Benzyl 1-tert-butyl 2-aminopentanedioate hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
86.54
TPSA
78.62

LogP / Solubility

WLOGP
2.6
MLOGP
2.3
XLogP3
2.6
Consensus LogP
2.5
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.68
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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