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CAS 149270-12-2 BOC-D-Cysteine (Boc-D-Cys-OH ) molecular structure lightbox
CAS RN: 149270-12-2

BOC-D-Cysteine (Boc-D-Cys-OH )

  • Product code: SSC-059319
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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: 1g
  • 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 149270-12-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

149270-12-2 / (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanylpropanoic acid

Standard CAS: 149270-12-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
149270-12-2
Multi CAS
No
Molecular Formula
C8H15NO4S
Molecular Weight
221.280000
Exact Mass
221.072179
SMILES
CC(C)(C)OC(=O)N[C@H](CS)C(=O)O
InChI
InChI=1S/C8H15NO4S/c1-8(2,3)13-7(12)9-5(4-14)6(10)11/h5,14H,4H2,1-3H3,(H,9,12)(H,10,11)/t5-/m1/s1
InChIKey
ATVFTGTXIUDKIZ-RXMQYKEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
54.65
TPSA
75.63

LogP / Solubility

WLOGP
0.89
MLOGP
0.79
XLogP3
0.8
Consensus LogP
0.83
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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