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CAS 1114876-08-2 Methyl 3-Methylazetidine-3-carboxylate hydrochloride molecular structure lightbox
CAS RN: 1114876-08-2

Methyl 3-Methylazetidine-3-carboxylate hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250309 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-012192
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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
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 1114876-08-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shanghai Inquiry
0.25g >95% 5 In Stock Shanghai Inquiry
1g >95% 5 In Stock Shanghai Inquiry

1114876-08-2 / methyl 3-methylazetidine-3-carboxylate;hydrochloride

Methyl 3-methylazetidine-3-carboxylate hydrochloride | MFCD12408554 | METHYL 3-METHYLAZETIDINE-3-CARBOXYLATE HCL

Standard CAS: 1114876-08-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1114876-08-2
Multi CAS
No
Molecular Formula
C6H12ClNO2
Molecular Weight
165.620000
Exact Mass
165.055656
SMILES
CC1(CNC1)C(=O)OC.Cl
InChI
InChI=1S/C6H11NO2.ClH/c1-6(3-7-4-6)5(8)9-2;/h7H,3-4H2,1-2H3;1H
InChIKey
LVNACXVGLUFTBL-UHFFFAOYSA-N
Synonyms
Methyl 3-methylazetidine-3-carboxylate hydrochloride MFCD12408554 METHYL 3-METHYLAZETIDINE-3-CARBOXYLATE HCL methyl 3-methylazetidine-3-carboxylate;hydrochloride 3-Methyl-azetidine-3-carboxylic acid methyl ester hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.24
TPSA
38.33

LogP / Solubility

WLOGP
0.19
MLOGP
0.16
XLogP3
0.19
Consensus LogP
0.18
Log S (ESOL)
-0.92
Class (ESOL)
Very soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.01
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)
-3.59

Drug-likeness / Medicinal Chemistry

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

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