CAS RN: 1258411-50-5
2-tert-Butoxycarbonylamino-oxazole-5-carboxylic acid
- Product code: SSC-031153
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Beijing | Inquiry |
1258411-50-5 / 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-4-carboxylic acid
Basic Information
CAS
1258411-50-5
Multi CAS
No
Molecular Formula
C9H12N2O5
Molecular Weight
228.200000
Exact Mass
228.074621
SMILES
CC(C)(C)OC(=O)NC1=NC(=CO1)C(=O)O
InChI
InChI=1S/C9H12N2O5/c1-9(2,3)16-8(14)11-7-10-5(4-15-7)6(12)13/h4H,1-3H3,(H,12,13)(H,10,11,14)
InChIKey
JCSFMVKNXKOGTE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
53.32
TPSA
101.66
LogP / Solubility
WLOGP
1.72
MLOGP
1.52
XLogP3
1.1
Consensus LogP
1.45
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
Class (SILICOS-IT)
Moderately 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)
-2.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
“ACT-389949(ACT389949)”
- CAS RN: 1258417-54-7
- Product Code: starshine_CAS1258417-54-7
- Purity/Analytical method: >99.0%
-
-
4,4′-(9H-carbazole-3,6-diyl)dibenzoic acid
- CAS RN: 1258419-79-2
- Product Code: starshine_CAS1258419-79-2
- Purity/Analytical method: >99.0%
-
1-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-Methylethyl)phenyl]-1-propanone
- CAS RN: 1258428-71-5
- Product Code: starshine_CAS1258428-71-5
- Purity/Analytical method: >99.0%
-
4-bromo-1-((3-methyloxetan-3-yl)methyl)-1H-pyrazole
- CAS RN: 1258452-60-6
- Product Code: SSC-031156
-
![CAS 1258428-71-5 1-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-Methylethyl)phenyl]-1-propanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1258428-71-5.gif)
