![CAS 1067239-17-1 3-{[(tert-butoxy)carbonyl]amino}-1-hydroxycyclobutane-1-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1067239-17-1.gif)
CAS RN: 1067239-17-1
3-{[(tert-butoxy)carbonyl]amino}-1-hydroxycyclobutane-1-carboxylic acid
- Product code: SSC-008263
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
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1067239-17-1 / 1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
DTXSID301142450 | 3-[[(1,1-Dimethylethoxy)carbonyl]amino]-1-hydroxycyclobutanecarboxylic acid | 3-(((1,1-Dimethylethoxy)carbonyl)amino)-1-hydroxycyclobutanecarboxylic acid
Basic Information
CAS
1067239-17-1
Multi CAS
No
Molecular Formula
C10H17NO5
Molecular Weight
231.250000
Exact Mass
231.110673
SMILES
CC(C)(C)OC(=O)NC1CC(C1)(C(=O)O)O
InChI
InChI=1S/C10H17NO5/c1-9(2,3)16-8(14)11-6-4-10(15,5-6)7(12)13/h6,15H,4-5H2,1-3H3,(H,11,14)(H,12,13)
InChIKey
VKJURBPNHWOHDW-UHFFFAOYSA-N
Synonyms
DTXSID301142450
3-[[(1,1-Dimethylethoxy)carbonyl]amino]-1-hydroxycyclobutanecarboxylic acid
3-(((1,1-Dimethylethoxy)carbonyl)amino)-1-hydroxycyclobutanecarboxylic acid
RefChem:1066246
DTXCID101574059
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
3
Molar refractivity
54.98
TPSA
95.86
LogP / Solubility
WLOGP
0.49
MLOGP
0.43
XLogP3
0.3
Consensus LogP
0.41
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
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)
-3.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 1067647-43-1 1H-INDOLE-2,4-DIONE, 3-[2,5-DIHYDRO-3-METHYL-5-OXO-1-[4-(TRIFLUOROMETHOXY)PHENYL]-1H-PYRAZOL-4-YL]-3,5,6,7-TETRAHYDRO-6,6-DIMETHYL-1-PHENYL-3-(TRIFLUOROMETHYL)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1067647-43-1.gif)
