[email protected]
CAS 1374636-08-4 (S)-(2-Amino-3,3-dimethyl-butyl)-carbamic acid tert-butyl ester molecular structure lightbox
CAS RN: 1374636-08-4

(S)-(2-Amino-3,3-dimethyl-butyl)-carbamic acid tert-butyl ester

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250226 1g / 5g / 10g Confirm by inquiry Shanghai 3-5 business days Inquiry
  • Product code: starshine_CAS1374636-08-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1374636-08-4 / tert-butyl N-[(2S)-2-amino-3,3-dimethylbutyl]carbamate

Standard CAS: 1374636-08-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1374636-08-4
Multi CAS
No
Molecular Formula
C11H24N2O2
Molecular Weight
216.320000
Exact Mass
216.183778
SMILES
CC(C)(C)[C@@H](CNC(=O)OC(C)(C)C)N
InChI
InChI=1S/C11H24N2O2/c1-10(2,3)8(12)7-13-9(14)15-11(4,5)6/h8H,7,12H2,1-6H3,(H,13,14)/t8-/m1/s1
InChIKey
OTSWUUVDIYKZTD-MRVPVSSYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
61.67
TPSA
64.35

LogP / Solubility

WLOGP
1.88
MLOGP
1.66
XLogP3
1.8
Consensus LogP
1.78
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us