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CAS 1307800-86-7 tert-butyl (2S)-2-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxylate molecular structure lightbox
CAS RN: 1307800-86-7

tert-butyl (2S)-2-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260122 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-037346
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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: >96%
  • Inventory rows with stock: 6
  • 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 1307800-86-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Beijing Inquiry
0.1g >96% 1 In Stock Shenzhen Inquiry
0.25g -- 1 In Stock Shenzhen Inquiry
0.25g >96% 1 In Stock Beijing Inquiry
1g -- 1 In Stock Beijing Inquiry
1g >96% 1 In Stock Hong Kong Inquiry
5g -- 0 Out of Stock Beijing Inquiry
5g >96% 0 Out of Stock Beijing Inquiry

1307800-86-7 / tert-butyl (2S)-2-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxylate

Standard CAS: 1307800-86-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1307800-86-7
Multi CAS
No
Molecular Formula
C11H21NO3
Molecular Weight
215.290000
Exact Mass
215.152144
SMILES
C[C@@H]([C@@H]1CCCN1C(=O)OC(C)(C)C)O
InChI
InChI=1S/C11H21NO3/c1-8(13)9-6-5-7-12(9)10(14)15-11(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,9-/m0/s1
InChIKey
JNNOAQQODYAQBD-IUCAKERBSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.64
TPSA
49.77

LogP / Solubility

WLOGP
1.77
MLOGP
1.56
XLogP3
1.4
Consensus LogP
1.58
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
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)
-2.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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