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CAS 100202-39-9 Methyl Azetidine-3-carboxylate Hydrochloride molecular structure lightbox
CAS RN: 100202-39-9

Methyl Azetidine-3-carboxylate Hydrochloride

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250207 1g In stock Inquiry
Batchno.20250811 25g In stock Inquiry
Batchno.20251009 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250131 5g / 25g / 100g Out of stock 8-10 business days Inquiry
  • Product code: SSC-000633
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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, 5g, 10g, 25g
  • 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 100202-39-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry
10g ≥95% 0 Out of Stock Shanghai Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

100202-39-9 / methyl azetidine-3-carboxylate;hydrochloride

Methyl azetidine-3-carboxylate hydrochloride | RefChem:817633 | 815-099-3

Standard CAS: 100202-39-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
100202-39-9
Multi CAS
No
Molecular Formula
C5H10ClNO2
Molecular Weight
151.590000
Exact Mass
151.040006
SMILES
COC(=O)C1CNC1.Cl
InChI
InChI=1S/C5H9NO2.ClH/c1-8-5(7)4-2-6-3-4;/h4,6H,2-3H2,1H3;1H
InChIKey
UOCWTLBPYROHEF-UHFFFAOYSA-N
Synonyms
Methyl azetidine-3-carboxylate hydrochloride RefChem:817633 815-099-3 Azetidine-3-carboxylic acid methyl ester hydrochloride MFCD01861758

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
35.62
TPSA
38.33

LogP / Solubility

WLOGP
-0.2
MLOGP
-0.18
XLogP3
-0.2
Consensus LogP
-0.19
Log S (ESOL)
-0.59
Class (ESOL)
Very soluble
Log S (Ali)
-0.66
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.6
Class (SILICOS-IT)
Very 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)
-3.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (80%): 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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