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CAS 210963-90-9 (R)-1-BOC-2-CHLOROMETHYL-PYRROLIDINE molecular structure lightbox
CAS RN: 210963-90-9

(R)-1-BOC-2-CHLOROMETHYL-PYRROLIDINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250518 50mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS210963-90-9
  • Purity/Analytical Methods: >99.0%
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210963-90-9 / tert-butyl (2R)-2-(chloromethyl)pyrrolidine-1-carboxylate

Standard CAS: 210963-90-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
210963-90-9
Multi CAS
No
Molecular Formula
C10H18ClNO2
Molecular Weight
219.710000
Exact Mass
219.102607
SMILES
CC(C)(C)OC(=O)N1CCC[C@@H]1CCl
InChI
InChI=1S/C10H18ClNO2/c1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKey
KTDOGEILJSFSSG-MRVPVSSYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
56.68
TPSA
29.54

LogP / Solubility

WLOGP
2.62
MLOGP
2.31
XLogP3
2.3
Consensus LogP
2.41
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
Class (SILICOS-IT)
Poorly 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)
-2.2

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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