CAS RN: 1893054-22-2
PLOQOWMRYIXTBH-UHFFFAOYSA-N
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.20260618 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-088431
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 | Hong Kong | Inquiry |
1893054-22-2 / benzyl 2,6-diazaspiro[3.3]heptane-2-carboxylate;oxalic acid
Basic Information
CAS
1893054-22-2
Multi CAS
No
Molecular Formula
C15H18N2O6
Molecular Weight
322.310000
Exact Mass
322.116486
SMILES
C1C2(CN1)CN(C2)C(=O)OCC3=CC=CC=C3.C(=O)(C(=O)O)O
InChI
InChI=1S/C13H16N2O2.C2H2O4/c16-12(15-9-13(10-15)7-14-8-13)17-6-11-4-2-1-3-5-11;3-1(4)2(5)6/h1-5,14H,6-10H2;(H,3,4)(H,5,6)
InChIKey
PLOQOWMRYIXTBH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
3
Molar refractivity
78.77
TPSA
116.17
LogP / Solubility
WLOGP
0.38
MLOGP
0.35
XLogP3
0.38
Consensus LogP
0.37
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
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)
-4.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5
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![CAS 1893397-65-3 Benzonitrile, 5-[4-[[4-[4-(3-oxetanyl)-1-piperazinyl]phenyl]amino]-1,3,5-triazin-2-yl]-2-[(tetrahydro-2H-pyran-4-yl)oxy]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1893397-65-3.gif)