CAS RN: 200283-08-5
tert-Butyl (2-((tert-butoxycarbonyl)amino)ethyl)(2-hydroxyethyl)carbamate
- Product code: SSC-094293
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 | Shanghai | Inquiry |
200283-08-5 / tert-butyl N-(2-hydroxyethyl)-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate
Basic Information
CAS
200283-08-5
Multi CAS
No
Molecular Formula
C14H28N2O5
Molecular Weight
304.380000
Exact Mass
304.199822
SMILES
CC(C)(C)OC(=O)NCCN(CCO)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H28N2O5/c1-13(2,3)20-11(18)15-7-8-16(9-10-17)12(19)21-14(4,5)6/h17H,7-10H2,1-6H3,(H,15,18)
InChIKey
AIUKWIFZPQMOBA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.86
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
79.13
TPSA
88.1
LogP / Solubility
WLOGP
1.74
MLOGP
1.54
XLogP3
1.1
Consensus LogP
1.46
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
Class (SILICOS-IT)
Poorly 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)
-3.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
