CAS RN: 951173-35-6
methyl (1S,2R)-2-((tert-butoxycarbonyl)amino)cyclobutanecarboxylate
- Product code: SSC-210360
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
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
951173-35-6 / cis-methyl (1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate
Basic Information
CAS
951173-35-6
Multi CAS
Yes
Molecular Formula
C11H19NO4
Molecular Weight
229.270000
Exact Mass
229.131408
InChI
InChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-8-6-5-7(8)9(13)15-4/h7-8H,5-6H2,1-4H3,(H,12,14)/t7-,8+/m0/s1
InChIKey
PJCOLFTZORXKKQ-JGVFFNPUSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
57.9
TPSA
64.63
LogP / Solubility
WLOGP
1.46
MLOGP
1.29
XLogP3
1.9
Consensus LogP
1.55
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
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
2.5
Customers Also Viewed
-
![CAS 951173-38-9 (1R,2R)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclobutanecarboxylic acid molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
(1R,2R)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclobutanecarboxylic acid
- CAS RN: 951173-38-9
- Product Code: SSC-210361
-
(1S,2S)-2-((tert-butoxycarbonyl)amino)cyclobutane-1-carboxylic acid
- CAS RN: 951173-39-0
- Product Code: SSC-210362
-
5-sulfamoylpyridin-3-ylboronic acid
- CAS RN: 951233-61-7
- Product Code: starshine_CAS951233-61-7
- Purity/Analytical method: >99.0%
-
Benzenemethanamine, a-methyl-4-(trifluoromethoxy)-, (aS)-
- CAS RN: 951247-75-9
- Product Code: SSC-210372
-
TERT-BUTYL 4-(1,3-THIAZOL-2-YL)PIPERIDINE-1-CARBOXYLATE
- CAS RN: 951259-15-7
- Product Code: SSC-210373
-
tert-butyl 4-(5-bromo-1,3-thiazol-2-yl)piperidine-1-carboxylate
- CAS RN: 951259-16-8
- Product Code: SSC-210374
![CAS 951173-38-9 (1R,2R)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclobutanecarboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/951173-38-9.gif)
