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CAS 303111-41-3 (S)-1-BENZYL-3-N-BOC-AMINOMETHYLPYRROLIDINE molecular structure lightbox
CAS RN: 303111-41-3

(S)-1-BENZYL-3-N-BOC-AMINOMETHYLPYRROLIDINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250626 100mg Out of stock 15 business days Inquiry
  • Product code: SSC-134388
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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 303111-41-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

303111-41-3 / tert-butyl N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]carbamate

Standard CAS: 303111-41-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
303111-41-3
Multi CAS
Yes
Molecular Formula
C17H26N2O2
Molecular Weight
290.400000
Exact Mass
290.199428
InChI
InChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)18-11-15-9-10-19(13-15)12-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,18,20)/t15-/m0/s1
InChIKey
MHRKPCRXBAHJGS-HNNXBMFYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
84.06
TPSA
41.57

LogP / Solubility

WLOGP
3.03
MLOGP
2.68
XLogP3
2.8
Consensus LogP
2.84
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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