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CAS 1075260-66-0 S-3-(BOC-AMINOMETHYL)-PYRROLIDINE-HCl molecular structure lightbox
CAS RN: 1075260-66-0

S-3-(BOC-AMINOMETHYL)-PYRROLIDINE-HCl

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251104 100mg / 250mg / 1g / 5g / 10g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-009073
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ＞97%
  • 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 1075260-66-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Hong Kong Inquiry
0.25g ＞97% 0 Out of Stock Hong Kong Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

1075260-66-0 / tert-butyl N-[[(3S)-pyrrolidin-3-yl]methyl]carbamate;hydrochloride

(S)-tert-Butyl (pyrrolidin-3-ylmethyl)carbamate hydrochloride | S-3-(BOC-AMINOMETHYL)-PYRROLIDINE-HCl | MFCD11101394

Standard CAS: 1075260-66-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1075260-66-0
Multi CAS
Yes
Molecular Formula
C10H21ClN2O2
Molecular Weight
236.740000
Exact Mass
236.129156
SMILES
CC(C)(C)OC(=O)NC[C@H]1CCNC1.Cl
InChI
InChI=1S/C10H20N2O2.ClH/c1-10(2,3)14-9(13)12-7-8-4-5-11-6-8;/h8,11H,4-7H2,1-3H3,(H,12,13);1H/t8-;/m0./s1
InChIKey
WEUDEPABMRKFFT-QRPNPIFTSA-N
Synonyms
(S)-tert-Butyl (pyrrolidin-3-ylmethyl)carbamate hydrochloride S-3-(BOC-AMINOMETHYL)-PYRROLIDINE-HCl MFCD11101394 tert-butyl N-{[(3S)-pyrrolidin-3-yl]methyl}carbamate hydrochloride (S)-3-N-Boc-aminomethylpyrrolidine hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
62.46
TPSA
50.36

LogP / Solubility

WLOGP
1.54
MLOGP
1.36
XLogP3
1.54
Consensus LogP
1.48
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately 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)
-3.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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