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CAS 1353018-42-4 N-Fmoc-5-methoxy-D-tryptophan molecular structure lightbox
CAS RN: 1353018-42-4

N-Fmoc-5-methoxy-D-tryptophan

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250527 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1353018-42-4
  • Purity/Analytical Methods: >99.0%
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1353018-42-4 / (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-methoxy-1H-indol-3-yl)propanoic acid

Standard CAS: 1353018-42-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1353018-42-4
Multi CAS
No
Molecular Formula
C27H24N2O5
Molecular Weight
456.500000
Exact Mass
456.168522
SMILES
COC1=CC2=C(C=C1)NC=C2C[C@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C27H24N2O5/c1-33-17-10-11-24-22(13-17)16(14-28-24)12-25(26(30)31)29-27(32)34-15-23-20-8-4-2-6-18(20)19-7-3-5-9-21(19)23/h2-11,13-14,23,25,28H,12,15H2,1H3,(H,29,32)(H,30,31)/t25-/m1/s1
InChIKey
LOSXXKTXEHICBG-RUZDIDTESA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
21
Fraction Csp3
0.19
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
3
Molar refractivity
128.18
TPSA
100.65

LogP / Solubility

WLOGP
4.71
MLOGP
4.18
XLogP3
4.7
Consensus LogP
4.53
Log S (ESOL)
-5.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.38
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)
-2.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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