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CAS 1822851-77-3 N,N’-Bis[3-(tert-butoxycarbonylamino)propyl]glycinamide molecular structure lightbox
CAS RN: 1822851-77-3

N,N’-Bis[3-(tert-butoxycarbonylamino)propyl]glycinamide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260513 50mg Out of stock 5-7 business days Inquiry
  • Product code: ICTB2419
  • Purity/Analytical Methods: >93.0%(T)
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1822851-77-3 / tert-butyl N-[3-[[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]acetyl]amino]propyl]carbamate

Standard CAS: 1822851-77-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1822851-77-3
Multi CAS
No
Molecular Formula
C18H36N4O5
Molecular Weight
388.500000
Exact Mass
388.268570
SMILES
CC(C)(C)OC(=O)NCCCNCC(=O)NCCCNC(=O)OC(C)(C)C
InChI
InChI=1S/C18H36N4O5/c1-17(2,3)26-15(24)21-11-7-9-19-13-14(23)20-10-8-12-22-16(25)27-18(4,5)6/h19H,7-13H2,1-6H3,(H,20,23)(H,21,24)(H,22,25)
InChIKey
LUUNBXYJZAFAKK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.83
Rotatable bonds
10
H-bond acceptors
6
H-bond donors
4
Molar refractivity
103.59
TPSA
117.79

LogP / Solubility

WLOGP
1.52
MLOGP
1.36
XLogP3
1.3
Consensus LogP
1.39
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.65
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)
-4.01

Drug-likeness / Medicinal Chemistry

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

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