CAS RN: 188988-43-4
TERT-BUTYL 3-((HYDROXYIMINO)METHYL)-1H-INDOLE-1-CARBOXYLATE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250818 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-088073
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 | Shanghai | Inquiry |
188988-43-4 / tert-butyl 3-[(E)-hydroxyiminomethyl]indole-1-carboxylate
Basic Information
CAS
188988-43-4
Multi CAS
No
Molecular Formula
C14H16N2O3
Molecular Weight
260.290000
Exact Mass
260.116092
SMILES
CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)/C=N/O
InChI
InChI=1S/C14H16N2O3/c1-14(2,3)19-13(17)16-9-10(8-15-18)11-6-4-5-7-12(11)16/h4-9,18H,1-3H3/b15-8+
InChIKey
NDMBDQXMLBFZOF-OVCLIPMQSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
72.95
TPSA
63.82
LogP / Solubility
WLOGP
3.23
MLOGP
2.85
XLogP3
3
Consensus LogP
3.03
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.15
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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