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CAS 123417-20-9 BOC-D-GLU(OFM)-OH molecular structure lightbox
CAS RN: 123417-20-9

BOC-D-GLU(OFM)-OH

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250622 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS123417-20-9
  • Purity/Analytical Methods: >99.0%
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123417-20-9 / (2R)-5-(9H-fluoren-9-ylmethoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid

Standard CAS: 123417-20-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
123417-20-9
Multi CAS
No
Molecular Formula
C24H27NO6
Molecular Weight
425.500000
Exact Mass
425.183838
SMILES
CC(C)(C)OC(=O)N[C@H](CCC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O
InChI
InChI=1S/C24H27NO6/c1-24(2,3)31-23(29)25-20(22(27)28)12-13-21(26)30-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-14H2,1-3H3,(H,25,29)(H,27,28)/t20-/m1/s1
InChIKey
RCQRXYWDDVULAP-HXUWFJFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
2
Molar refractivity
114.71
TPSA
101.93

LogP / Solubility

WLOGP
4.1
MLOGP
3.64
XLogP3
3.9
Consensus LogP
3.88
Log S (ESOL)
-4.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.67
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.4

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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