![CAS 912265-93-1 3a,6,7,7a-Tetrahydro-4H-isoxazolo[4,5-c]pyridine-3,5-dicarboxylic acid 5-tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/912265-93-1.gif)
CAS RN: 912265-93-1
3a,6,7,7a-Tetrahydro-4H-isoxazolo[4,5-c]pyridine-3,5-dicarboxylic acid 5-tert-butyl ester
- Product code: SSC-204099
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 | Shenzhen | Inquiry |
912265-93-1 / 5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid
Basic Information
CAS
912265-93-1
Multi CAS
Yes
Molecular Formula
C12H16N2O5
Molecular Weight
268.270000
Exact Mass
268.105922
InChI
InChI=1S/C12H16N2O5/c1-12(2,3)18-11(17)14-5-4-8-7(6-14)9(10(15)16)13-19-8/h4-6H2,1-3H3,(H,15,16)
InChIKey
ZIWZRFMBPIFBRM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.58
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
63.81
TPSA
92.87
LogP / Solubility
WLOGP
1.67
MLOGP
1.47
XLogP3
1
Consensus LogP
1.38
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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