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CAS 100858-32-0 (S)-1-Carbobenzoxy-3-pyrrolidinol molecular structure lightbox
CAS RN: 100858-32-0

(S)-1-Carbobenzoxy-3-pyrrolidinol

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260325 100g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250831 10g In stock Shanghai, Shenzhen Inquiry
Batchno.20250416 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251214 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shandong 8-10 business days Inquiry
Batchno.20251227 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260326 500g In stock Shanghai Inquiry
Batchno.20251016 5g In stock Shanghai, Wuhan, Chengdu Inquiry
  • Product code: SSC-001596
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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: 1g, 10g, 5g, 25g, 100g, 500g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • 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 100858-32-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Beijing Inquiry
10g >97% 1 In Stock Beijing Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry
25g >97% 0 Out of Stock Shenzhen Inquiry
100g >97% 0 Out of Stock Hong Kong Inquiry
500g >97% 0 Out of Stock Shenzhen Inquiry

100858-32-0 / benzyl (3S)-3-hydroxypyrrolidine-1-carboxylate

benzyl 3-hydroxypyrrolidine-1-carboxylate | DTXSID30913871 | RefChem:566637

Standard CAS: 100858-32-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
100858-32-0
Multi CAS
Yes
Molecular Formula
C12H15NO3
Molecular Weight
221.250000
Exact Mass
221.105193
SMILES
C1CN(C[C@H]1O)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C12H15NO3/c14-11-6-7-13(8-11)12(15)16-9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2/t11-/m0/s1
InChIKey
MBLJFGOKYTZKMH-NSHDSACASA-N
Synonyms
benzyl 3-hydroxypyrrolidine-1-carboxylate DTXSID30913871 RefChem:566637 DTXCID50938687 103-281-9

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.82
TPSA
49.77

LogP / Solubility

WLOGP
1.39
MLOGP
1.23
XLogP3
1.1
Consensus LogP
1.24
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
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)
-3.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (97.5%): Toxic if swallowed [Danger 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 (97.5%): 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+P316, 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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