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CAS 90159-60-7 (R)-5-Benzyl 1-tert-butyl 2-aminopentanedioate hydrochloride molecular structure lightbox
CAS RN: 90159-60-7

(R)-5-Benzyl 1-tert-butyl 2-aminopentanedioate hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250620 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-202652
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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: 5g
  • Available purity: ≥95%
  • 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 90159-60-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

90159-60-7 / 5-O-benzyl 1-O-tert-butyl (2R)-2-aminopentanedioate;hydrochloride

Standard CAS: 90159-60-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
90159-60-7
Multi CAS
Yes
Molecular Formula
C16H24CLNO4
Molecular Weight
329.820000
Exact Mass
329.139386
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-;/m1./s1
InChIKey
TWBZXIOAVCJDKR-BTQNPOSSSA-N

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

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