![CAS 258332-57-9 N-[3-(tert-Butoxycarbonylamino)propyl]glycine Ethyl Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b2384-jpgcontextbwfzdgvyfhjvb3r8mjczotd8aw1hz2uvanblz3xoymuvagezlzg5mjg4mtg4odg3mzqvqjizodquanbnfdawzjjmmtbjzwi5odrkzjy5nty0ngu2zmu0yzjmnmy4otgzyme3yjk3zdc2yzvlmzixnza4ogeyyzy3nwjmoge.jpeg)
CAS RN: 258332-57-9
N-[3-(tert-Butoxycarbonylamino)propyl]glycine Ethyl Ester
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250215 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: ICTB2384
- Purity/Analytical Methods: >96.0%(GC)
258332-57-9 / ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]acetate
Basic Information
CAS
258332-57-9
Multi CAS
No
Molecular Formula
C12H24N2O4
Molecular Weight
260.330000
Exact Mass
260.173607
SMILES
CCOC(=O)CNCCCNC(=O)OC(C)(C)C
InChI
InChI=1S/C12H24N2O4/c1-5-17-10(15)9-13-7-6-8-14-11(16)18-12(2,3)4/h13H,5-9H2,1-4H3,(H,14,16)
InChIKey
IUZPINCLTDROJL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.83
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
2
Molar refractivity
68.36
TPSA
76.66
LogP / Solubility
WLOGP
1.05
MLOGP
0.93
XLogP3
1.1
Consensus LogP
1.03
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.56
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
