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CAS 213388-71-7 Carbamic acid, [(3R,4R)-4-fluoro-3-pyrrolidinyl]-, 1,1-dimethylethyl ester (9CI) molecular structure lightbox
CAS RN: 213388-71-7

Carbamic acid, [(3R,4R)-4-fluoro-3-pyrrolidinyl]-, 1,1-dimethylethyl ester (9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250329 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-101869
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 213388-71-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Beijing Inquiry
5g >95% 1 In Stock Hong Kong Inquiry

213388-71-7 / tert-butyl N-[(3R,4R)-4-fluoropyrrolidin-3-yl]carbamate

Standard CAS: 213388-71-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
213388-71-7
Multi CAS
No
Molecular Formula
C9H17FN2O2
Molecular Weight
204.240000
Exact Mass
204.127406
SMILES
CC(C)(C)OC(=O)N[C@@H]1CNC[C@H]1F
InChI
InChI=1S/C9H17FN2O2/c1-9(2,3)14-8(13)12-7-5-11-4-6(7)10/h6-7,11H,4-5H2,1-3H3,(H,12,13)/t6-,7-/m1/s1
InChIKey
BZSDDSIFAGBZLT-RNFRBKRXSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.92
TPSA
50.36

LogP / Solubility

WLOGP
0.82
MLOGP
0.72
XLogP3
0.8
Consensus LogP
0.78
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
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)
-3.38

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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