CAS RN: 216584-22-4
1,2,3-Tris(tert-butoxycarbonyl)guanidine
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.20250824 | 250mg / 1g / 5g / 50g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-103841
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
216584-22-4 / tert-butyl N-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
Basic Information
CAS
216584-22-4
Multi CAS
No
Molecular Formula
C16H29N3O6
Molecular Weight
359.420000
Exact Mass
359.205636
SMILES
CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
InChI
InChI=1S/C16H29N3O6/c1-14(2,3)23-11(20)17-10(18-12(21)24-15(4,5)6)19-13(22)25-16(7,8)9/h1-9H3,(H2,17,18,19,20,21,22)
InChIKey
XZGNHTJSFCBWHG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
0.75
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
2
Molar refractivity
92.41
TPSA
115.32
LogP / Solubility
WLOGP
3.33
MLOGP
2.95
XLogP3
4.3
Consensus LogP
3.53
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
Class (SILICOS-IT)
Slightly 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
Yes
Log Kp (skin permeation)
-2.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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