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CAS 872714-78-8 cis-1-Boc-3-hydroxy-4-aMinoMethylpyrrolidine molecular structure lightbox
CAS RN: 872714-78-8

cis-1-Boc-3-hydroxy-4-aMinoMethylpyrrolidine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251205 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-197052
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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 872714-78-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

872714-78-8 / tert-butyl 3-(aminomethyl)-4-hydroxypyrrolidine-1-carboxylate

Standard CAS: 872714-78-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
872714-78-8
Multi CAS
Yes
Molecular Formula
C10H20N2O3
Molecular Weight
216.280000
Exact Mass
216.147393
InChI
InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-7(4-11)8(13)6-12/h7-8,13H,4-6,11H2,1-3H3/t7-,8+/m0/s1
InChIKey
AHJZEZIYOBGVSK-JGVFFNPUSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
56.36
TPSA
75.79

LogP / Solubility

WLOGP
0.17
MLOGP
0.15
XLogP3
0.1
Consensus LogP
0.14
Log S (ESOL)
-1.22
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.33
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.92

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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