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CAS 2173182-42-6 tert-butyl trans-3,4-diaminopyrrolidine-1-carboxylate molecular structure lightbox
CAS RN: 2173182-42-6

tert-butyl trans-3,4-diaminopyrrolidine-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251122 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-104846
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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 2173182-42-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

2173182-42-6 / tert-butyl (3S,4S)-3,4-diaminopyrrolidine-1-carboxylate

Standard CAS: 2173182-42-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2173182-42-6
Multi CAS
No
Molecular Formula
C9H19N3O2
Molecular Weight
201.270000
Exact Mass
201.147727
SMILES
CC(C)(C)OC(=O)N1C[C@@H]([C@H](C1)N)N
InChI
InChI=1S/C9H19N3O2/c1-9(2,3)14-8(13)12-4-6(10)7(11)5-12/h6-7H,4-5,10-11H2,1-3H3/t6-,7-/m0/s1
InChIKey
MOFRNGKMXMQTQR-BQBZGAKWSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
53.76
TPSA
81.58

LogP / Solubility

WLOGP
-0.11
MLOGP
-0.1
XLogP3
-0.9
Consensus LogP
-0.37
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-1.13
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.88
Class (SILICOS-IT)
Very 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)
-4.02

Drug-likeness / Medicinal Chemistry

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

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