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CAS 1403590-50-0 FMoc-α-Me-D-Asn-OH molecular structure lightbox
CAS RN: 1403590-50-0

FMoc-α-Me-D-Asn-OH

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250403 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1403590-50-0
  • Purity/Analytical Methods: >99.0%
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1403590-50-0 / (2R)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyl-4-oxobutanoic acid

Standard CAS: 1403590-50-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1403590-50-0
Multi CAS
No
Molecular Formula
C20H20N2O5
Molecular Weight
368.400000
Exact Mass
368.137222
SMILES
C[C@@](CC(=O)N)(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C20H20N2O5/c1-20(18(24)25,10-17(21)23)22-19(26)27-11-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16H,10-11H2,1H3,(H2,21,23)(H,22,26)(H,24,25)/t20-/m1/s1
InChIKey
WDVALBSODAWGFX-HXUWFJFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
98.06
TPSA
118.72

LogP / Solubility

WLOGP
2.24
MLOGP
1.99
XLogP3
1.7
Consensus LogP
1.98
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.64
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-3.37

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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