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CAS 135042-12-5 cis-N-(tert-Butoxycarbonyl)-4-hydroxy-D-proline molecular structure lightbox
CAS RN: 135042-12-5

cis-N-(tert-Butoxycarbonyl)-4-hydroxy-D-proline

  • Product code: SSC-042898
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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, 100g, 500g, 1000g
  • Available purity: ≥97%
  • Inventory rows with stock: 6
  • 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 135042-12-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 5 In Stock Shenzhen Inquiry
1g ≥97% 5 In Stock Beijing Inquiry
5g -- 5 In Stock Shenzhen Inquiry
5g ≥97% 5 In Stock Shanghai Inquiry
10g -- 4 In Stock Hong Kong Inquiry
10g ≥97% 4 In Stock Shenzhen Inquiry
25g -- 0 Out of Stock Beijing Inquiry
25g ≥97% 0 Out of Stock Shenzhen Inquiry
100g -- 0 Out of Stock Beijing Inquiry
100g ≥97% 0 Out of Stock Shanghai Inquiry
500g -- 0 Out of Stock Beijing Inquiry
500g ≥97% 0 Out of Stock Shenzhen Inquiry
1000g -- 0 Out of Stock Beijing Inquiry

135042-12-5 / (2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

Standard CAS: 135042-12-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
135042-12-5
Multi CAS
No
Molecular Formula
C10H17NO5
Molecular Weight
231.250000
Exact Mass
231.110673
SMILES
CC(C)(C)OC(=O)N1C[C@@H](C[C@@H]1C(=O)O)O
InChI
InChI=1S/C10H17NO5/c1-10(2,3)16-9(15)11-5-6(12)4-7(11)8(13)14/h6-7,12H,4-5H2,1-3H3,(H,13,14)/t6-,7-/m1/s1
InChIKey
BENKAPCDIOILGV-RNFRBKRXSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
54.99
TPSA
87.07

LogP / Solubility

WLOGP
0.44
MLOGP
0.39
XLogP3
0.3
Consensus LogP
0.38
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317

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