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CAS 200937-57-1 N-(9-FLUORENYLMETHOXYCARBONYL)-L-LEUCIN& molecular structure lightbox
CAS RN: 200937-57-1

N-(9-FLUORENYLMETHOXYCARBONYL)-L-LEUCIN&

Product Availability

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251030 1g Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260329 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS200937-57-1
  • Purity/Analytical Methods: >99.0%
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200937-57-1 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-4-methylpentanoic acid

Standard CAS: 200937-57-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
200937-57-1
Multi CAS
No
Molecular Formula
C21H23NO4
Molecular Weight
354.400000
Exact Mass
354.159743
SMILES
CC(C)C[C@@H](C(=O)O)[15NH]C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C21H23NO4/c1-13(2)11-19(20(23)24)22-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)/t19-/m0/s1/i22+1
InChIKey
CBPJQFCAFFNICX-VIKCBUFNSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
99.08
TPSA
75.63

LogP / Solubility

WLOGP
4.02
MLOGP
3.56
XLogP3
4.4
Consensus LogP
3.99
Log S (ESOL)
-4.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.02
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.02

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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