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CAS 957135-12-5 (5S,8S,10aR)-Methyl 5-(tert-butoxycarbonylaMino)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxylate molecular structure lightbox
CAS RN: 957135-12-5

(5S,8S,10aR)-Methyl 5-(tert-butoxycarbonylaMino)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxylate

Product Availability

Choose a grade to view its available package options.

7 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250518 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260308 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260318 250mg In stock Shanghai Inquiry
Batchno.20250615 25mg In stock Shanghai Inquiry
Batchno.20250211 50mg In stock Shanghai, Tianjin Inquiry
Batchno.20251018 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260430 50mg / 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-211358
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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: 0.05g, 0.1g, 0.25g, 1g, 5g
  • Available purity: >96%
  • 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 957135-12-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g >96% 1 In Stock Hong Kong Inquiry
0.1g >96% 1 In Stock Shenzhen Inquiry
0.25g >96% 1 In Stock Hong Kong Inquiry
1g >96% 0 Out of Stock Hong Kong Inquiry
5g >96% 0 Out of Stock Beijing Inquiry

957135-12-5 / methyl (5S,8S,10aR)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-2,3,4,5,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a][1,5]diazocine-8-carboxylate

Standard CAS: 957135-12-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
957135-12-5
Multi CAS
Yes
Molecular Formula
C16H27N3O5
Molecular Weight
341.400000
Exact Mass
341.195071
InChI
InChI=1S/C16H27N3O5/c1-16(2,3)24-15(22)18-11-9-17-8-7-10-5-6-12(14(21)23-4)19(10)13(11)20/h10-12,17H,5-9H2,1-4H3,(H,18,22)/t10-,11+,12+/m1/s1
InChIKey
UKRIZEJDRITPFH-WOPDTQHZSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.81
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
86.32
TPSA
96.97

LogP / Solubility

WLOGP
0.41
MLOGP
0.37
XLogP3
0.7
Consensus LogP
0.49
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
Class (SILICOS-IT)
Moderately 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)
-4.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4

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