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CAS 1228542-19-5 (2S)-2-{[(tert-butoxy)carbonyl]amino}-2-cycloheptylacetic acid molecular structure lightbox
CAS RN: 1228542-19-5

(2S)-2-{[(tert-butoxy)carbonyl]amino}-2-cycloheptylacetic acid

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250528 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260114 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batchno.20250301 1g Out of stock Inquiry
Batchno.20260325 250mg In stock Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250405 5g In stock Shanghai Inquiry
  • Product code: SSC-026400
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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, 0.1g, 0.25g, 5g, 10g, 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 1228542-19-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 3 In Stock Hong Kong Inquiry
0.1g >98% 2 In Stock Shanghai Inquiry
0.25g >98% 2 In Stock Hong Kong Inquiry
5g >98% 0 Out of Stock Beijing Inquiry
10g >98% 0 Out of Stock Hong Kong Inquiry
25g >98% 0 Out of Stock Shanghai Inquiry

1228542-19-5 / (2S)-2-cycloheptyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

Standard CAS: 1228542-19-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1228542-19-5
Multi CAS
No
Molecular Formula
C14H25NO4
Molecular Weight
271.350000
Exact Mass
271.178358
SMILES
CC(C)(C)OC(=O)N[C@@H](C1CCCCCC1)C(=O)O
InChI
InChI=1S/C14H25NO4/c1-14(2,3)19-13(18)15-11(12(16)17)10-8-6-4-5-7-9-10/h10-11H,4-9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m0/s1
InChIKey
ADXRJYZTIHABDG-NSHDSACASA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
71.99
TPSA
75.63

LogP / Solubility

WLOGP
2.93
MLOGP
2.59
XLogP3
3.5
Consensus LogP
3.01
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.22
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)
-2.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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