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CAS 1409939-21-4 Boc-L-Dbu(Fmoc)-OH molecular structure lightbox
CAS RN: 1409939-21-4

Boc-L-Dbu(Fmoc)-OH

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250920 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1409939-21-4
  • Purity/Analytical Methods: >99.0%
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1409939-21-4 / (3R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Standard CAS: 1409939-21-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1409939-21-4
Multi CAS
No
Molecular Formula
C24H28N2O6
Molecular Weight
440.500000
Exact Mass
440.194737
SMILES
CC(C)(C)OC(=O)N[C@H](CC(=O)O)CNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C24H28N2O6/c1-24(2,3)32-23(30)26-15(12-21(27)28)13-25-22(29)31-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20H,12-14H2,1-3H3,(H,25,29)(H,26,30)(H,27,28)/t15-/m1/s1
InChIKey
FSCCIFFKRBHSLF-OAHLLOKOSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
3
Molar refractivity
118.48
TPSA
113.96

LogP / Solubility

WLOGP
3.89
MLOGP
3.45
XLogP3
3.3
Consensus LogP
3.55
Log S (ESOL)
-4.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.59
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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