CAS RN: 263403-72-1
tert-Butyl 2-Boc-aMinobenzylcarbaMate
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.20250808 | 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS263403-72-1
- Purity/Analytical Methods: >99.0%
263403-72-1 / tert-butyl N-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbamate
Basic Information
CAS
263403-72-1
Multi CAS
No
Molecular Formula
C17H26N2O4
Molecular Weight
322.400000
Exact Mass
322.189257
SMILES
CC(C)(C)OC(=O)NCC1=CC=CC=C1NC(=O)OC(C)(C)C
InChI
InChI=1S/C17H26N2O4/c1-16(2,3)22-14(20)18-11-12-9-7-8-10-13(12)19-15(21)23-17(4,5)6/h7-10H,11H2,1-6H3,(H,18,20)(H,19,21)
InChIKey
NZJDCDLBHCNBMR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
89.37
TPSA
76.66
LogP / Solubility
WLOGP
4.06
MLOGP
3.59
XLogP3
3
Consensus LogP
3.55
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.48
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
