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CAS 207857-15-6 1,3-Bis(tert-butoxycarbonyl)-2-(trifluoromethanesulfonyl)guanidine molecular structure lightbox
CAS RN: 207857-15-6

1,3-Bis(tert-butoxycarbonyl)-2-(trifluoromethanesulfonyl)guanidine

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250325 100g In stock Shanghai Inquiry
Batchno.20250215 10g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260428 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260211 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251025 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20260109 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: SSC-097810
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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, 5g, 10g, 25g
  • 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 207857-15-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

207857-15-6 / tert-butyl N-[N-[(2-methylpropan-2-yl)oxycarbonyl]-N'-(trifluoromethylsulfonyl)carbamimidoyl]carbamate

Standard CAS: 207857-15-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
207857-15-6
Multi CAS
No
Molecular Formula
C12H20F3N3O6S
Molecular Weight
391.370000
Exact Mass
391.102491
SMILES
CC(C)(C)OC(=O)NC(=NS(=O)(=O)C(F)(F)F)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H20F3N3O6S/c1-10(2,3)23-8(19)16-7(17-9(20)24-11(4,5)6)18-25(21,22)12(13,14)15/h1-6H3,(H2,16,17,18,19,20)
InChIKey
GOQZIPJCBUYLIR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
2
Molar refractivity
81.15
TPSA
123.16

LogP / Solubility

WLOGP
2.24
MLOGP
2
XLogP3
3.9
Consensus LogP
2.71
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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