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CAS 883554-90-3 N,N-DI-TERT-BUTOXYCARBONYL-BENZENE-1,4-DIAMINE molecular structure lightbox
CAS RN: 883554-90-3

N,N-DI-TERT-BUTOXYCARBONYL-BENZENE-1,4-DIAMINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250724 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS883554-90-3
  • Purity/Analytical Methods: >99.0%
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883554-90-3 / tert-butyl N-(4-aminophenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

Standard CAS: 883554-90-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
883554-90-3
Multi CAS
No
Molecular Formula
C16H24N2O4
Molecular Weight
308.370000
Exact Mass
308.173607
InChI
InChI=1S/C16H24N2O4/c1-15(2,3)21-13(19)18(14(20)22-16(4,5)6)12-9-7-11(17)8-10-12/h7-10H,17H2,1-6H3
InChIKey
DPNHHUDUEAJVPX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
85.8
TPSA
81.86

LogP / Solubility

WLOGP
3.95
MLOGP
3.48
XLogP3
3.2
Consensus LogP
3.54
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
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
No
Log Kp (skin permeation)
-1.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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