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CAS 30044-61-2 BOC-S-TERT-BUTYLMERCAPTO-L-CYSTEINE molecular structure lightbox
CAS RN: 30044-61-2

BOC-S-TERT-BUTYLMERCAPTO-L-CYSTEINE

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251216 1g / 5g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251113 100mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251203 1g In stock Shanghai Inquiry
Batchno.20251220 250mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20251014 5g In stock Shanghai Inquiry
  • Product code: SSC-133632
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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: ＞97%
  • 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 30044-61-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

30044-61-2 / 3-(tert-butyldisulfanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Standard CAS: 30044-61-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
30044-61-2
Multi CAS
Yes
Molecular Formula
C12H23NO4S2
Molecular Weight
309.500000
Exact Mass
309.106851
InChI
InChI=1S/C12H23NO4S2/c1-11(2,3)17-10(16)13-8(9(14)15)7-18-19-12(4,5)6/h8H,7H2,1-6H3,(H,13,16)(H,14,15)
InChIKey
PPQRALRLGBAWHD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
80.6
TPSA
75.63

LogP / Solubility

WLOGP
3.14
MLOGP
2.78
XLogP3
2.2
Consensus LogP
2.71
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.88
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)
-2.38

Drug-likeness / Medicinal Chemistry

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

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