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CAS 916214-30-7 (S)-1-Boc-3-AMinoMethylpyrrolidine-HCl molecular structure lightbox
CAS RN: 916214-30-7

(S)-1-Boc-3-AMinoMethylpyrrolidine-HCl

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250624 2g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS916214-30-7
  • Purity/Analytical Methods: >99.0%
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916214-30-7 / tert-butyl 3-(aminomethyl)pyrrolidine-1-carboxylate;hydrochloride

Standard CAS: 916214-30-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
916214-30-7
Multi CAS
Yes
Molecular Formula
C10H21CLN2O2
Molecular Weight
236.740000
Exact Mass
236.129156
InChI
InChI=1S/C10H20N2O2.ClH/c1-10(2,3)14-9(13)12-5-4-8(6-11)7-12;/h8H,4-7,11H2,1-3H3;1H/t8-;/m0./s1
InChIKey
QKIJZDUDCUIGGM-QRPNPIFTSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.22
TPSA
55.56

LogP / Solubility

WLOGP
1.62
MLOGP
1.43
XLogP3
1.62
Consensus LogP
1.56
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
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)
-3.01

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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