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CAS 411238-88-5 3-HYDRAZINOCARBONYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER molecular structure lightbox
CAS RN: 411238-88-5

3-HYDRAZINOCARBONYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

  • Product code: SSC-149541
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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 411238-88-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

411238-88-5 / tert-butyl (3R)-3-(hydrazinecarbonyl)pyrrolidine-1-carboxylate

Standard CAS: 411238-88-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
411238-88-5
Multi CAS
Yes
Molecular Formula
C10H19N3O3
Molecular Weight
229.280000
Exact Mass
229.142641
InChI
InChI=1S/C10H19N3O3/c1-10(2,3)16-9(15)13-5-4-7(6-13)8(14)12-11/h7H,4-6,11H2,1-3H3,(H,12,14)/t7-/m1/s1
InChIKey
HFMHEXPZANOFSL-SSDOTTSWSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
58.24
TPSA
84.66

LogP / Solubility

WLOGP
0.23
MLOGP
0.21
XLogP3
-0.2
Consensus LogP
0.08
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.46
Class (SILICOS-IT)
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)
-3.95

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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