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CAS 268542-16-1 (R)-FMOC-3-AMINO-ADIPIC ACID-1-TERT-BUTYL ESTER molecular structure lightbox
CAS RN: 268542-16-1

(R)-FMOC-3-AMINO-ADIPIC ACID-1-TERT-BUTYL ESTER

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250808 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS268542-16-1
  • Purity/Analytical Methods: >99.0%
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268542-16-1 / (4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxy]-6-oxohexanoic acid

Standard CAS: 268542-16-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
268542-16-1
Multi CAS
No
Molecular Formula
C25H29NO6
Molecular Weight
439.500000
Exact Mass
439.199488
SMILES
CC(C)(C)OC(=O)C[C@@H](CCC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C25H29NO6/c1-25(2,3)32-23(29)14-16(12-13-22(27)28)26-24(30)31-15-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,16,21H,12-15H2,1-3H3,(H,26,30)(H,27,28)/t16-/m1/s1
InChIKey
LZDHCALVMGCTSL-MRXNPFEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
2
Molar refractivity
119.32
TPSA
101.93

LogP / Solubility

WLOGP
4.49
MLOGP
3.98
XLogP3
3.8
Consensus LogP
4.09
Log S (ESOL)
-5.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.2
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)
-2.21

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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