[email protected]
CAS 1035351-06-4 1-{[(1,1-diMethylethyl)oxy]carbonyl}-3-hydroxyazetidine-3-carboxylic acid molecular structure lightbox
CAS RN: 1035351-06-4

1-{[(1,1-diMethylethyl)oxy]carbonyl}-3-hydroxyazetidine-3-carboxylic acid

Product Availability

Choose a grade to view its available package options.

6 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250205 100mg In stock Shanghai Inquiry
Batchno.20260523 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batchno.20260106 10g Out of stock Inquiry
Batchno.20250628 1g In stock Shanghai Inquiry
Batchno.20250610 250mg In stock Shanghai Inquiry
Batchno.20250816 5g In stock Shanghai Inquiry
  • Product code: SSC-005112
GET A QUOTE
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, 10g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1035351-06-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Shenzhen Inquiry
5g >95% 1 In Stock Shanghai Inquiry
10g >95% 1 In Stock Shenzhen Inquiry
25g >95% 1 In Stock Beijing Inquiry

1035351-06-4 / 3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid

1-[(tert-butoxy)carbonyl]-3-hydroxyazetidine-3-carboxylic acid | 1-((tert-butoxy)carbonyl)-3-hydroxyazetidine-3-carboxylic acid | RefChem:419011

Standard CAS: 1035351-06-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1035351-06-4
Multi CAS
No
Molecular Formula
C9H15NO5
Molecular Weight
217.220000
Exact Mass
217.095023
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C(=O)O)O
InChI
InChI=1S/C9H15NO5/c1-8(2,3)15-7(13)10-4-9(14,5-10)6(11)12/h14H,4-5H2,1-3H3,(H,11,12)
InChIKey
JUVBVTZAIHSJDI-UHFFFAOYSA-N
Synonyms
1-[(tert-butoxy)carbonyl]-3-hydroxyazetidine-3-carboxylic acid 1-((tert-butoxy)carbonyl)-3-hydroxyazetidine-3-carboxylic acid RefChem:419011 869-451-6 1-(tert-Butoxycarbonyl)-3-hydroxyazetidine-3-carboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.78
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
50.39
TPSA
87.07

LogP / Solubility

WLOGP
0.05
MLOGP
0.05
XLogP3
-0.3
Consensus LogP
-0.07
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.24
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.01

Drug-likeness / Medicinal Chemistry

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

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

Customers Also Viewed

Get In Touch

Contact Us