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CAS 107020-12-2 (S)-N-BOC-AZETIDINE-2-CARBOXYLIC ACID METHYL ESTER molecular structure lightbox
CAS RN: 107020-12-2

(S)-N-BOC-AZETIDINE-2-CARBOXYLIC ACID METHYL ESTER

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251225 1g / 5g / 10g Out of stock 5-7 business days Inquiry
  • Product code: SSC-008489
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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: 10g, 0.25g, 1g, 5g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 10
  • 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 107020-12-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g -- 3 In Stock Shanghai Inquiry
10g >97% 3 In Stock Beijing Inquiry
0.25g -- 2 In Stock Hong Kong Inquiry
0.25g >97% 2 In Stock Shenzhen Inquiry
1g -- 2 In Stock Hong Kong Inquiry
1g >97% 2 In Stock Hong Kong Inquiry
5g -- 2 In Stock Hong Kong Inquiry
5g >97% 2 In Stock Beijing Inquiry
25g -- 1 In Stock Shenzhen Inquiry
25g >97% 1 In Stock Shenzhen Inquiry

107020-12-2 / 1-O-tert-butyl 2-O-methyl (2S)-azetidine-1,2-dicarboxylate

Azetidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester | RefChem:560523 | 801-843-4

Standard CAS: 107020-12-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
107020-12-2
Multi CAS
Yes
Molecular Formula
C10H17NO4
Molecular Weight
215.250000
Exact Mass
215.115758
SMILES
CC(C)(C)OC(=O)N1CC[C@H]1C(=O)OC
InChI
InChI=1S/C10H17NO4/c1-10(2,3)15-9(13)11-6-5-7(11)8(12)14-4/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKey
FGWUDHZVEBFGKS-ZETCQYMHSA-N
Synonyms
Azetidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester RefChem:560523 801-843-4 Methyl N-Boc-azetidine-2-carboxylate Methyl 1-Boc-azetidine-2-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
53.36
TPSA
55.84

LogP / Solubility

WLOGP
1.17
MLOGP
1.03
XLogP3
1.2
Consensus LogP
1.13
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
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)
-3.2

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)
Irritant
Signal
Warning
GHS Hazard Statements
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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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