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CAS 68090-88-0 N-(tert-Butoxycarbonyl)-4-chloro-L-phenylalanine molecular structure lightbox
CAS RN: 68090-88-0

N-(tert-Butoxycarbonyl)-4-chloro-L-phenylalanine

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260202 1g In stock Shanghai, Shandong Inquiry
Batchno.20260424 25g In stock Shanghai Inquiry
Batchno.20250711 5g In stock Shandong Inquiry
  • Product code: SSC-177797
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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, 10g, 5g, 25g
  • Available purity: ≥98%
  • Inventory rows with stock: 3
  • 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 68090-88-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 2 In Stock Shenzhen Inquiry
10g ≥98% 2 In Stock Hong Kong Inquiry
5g ≥98% 1 In Stock Hong Kong Inquiry
25g ≥98% 0 Out of Stock Hong Kong Inquiry

68090-88-0 / (2S)-3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Standard CAS: 68090-88-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
68090-88-0
Multi CAS
Yes
Molecular Formula
C14H18CLNO4
Molecular Weight
299.750000
Exact Mass
299.092436
InChI
InChI=1S/C14H18ClNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
InChIKey
BETBOAZCLSJOBQ-NSHDSACASA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
75.95
TPSA
75.63

LogP / Solubility

WLOGP
2.86
MLOGP
2.53
XLogP3
2.4
Consensus LogP
2.6
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.46
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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