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CAS 753504-16-4 Fmoc-6-bromo-DL-tryptophan molecular structure lightbox
CAS RN: 753504-16-4

Fmoc-6-bromo-DL-tryptophan

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260106 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS753504-16-4
  • Purity/Analytical Methods: >99.0%
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753504-16-4 / 3-(6-bromo-1H-indol-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Standard CAS: 753504-16-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
753504-16-4
Multi CAS
No
Molecular Formula
BC26H21O4Rn2
Molecular Weight
505.400000
Exact Mass
504.068470
InChI
InChI=1S/C26H21BrN2O4/c27-16-9-10-17-15(13-28-23(17)12-16)11-24(25(30)31)29-26(32)33-14-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-10,12-13,22,24,28H,11,14H2,(H,29,32)(H,30,31)
InChIKey
YJIHXRJOKTXCAM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
21
Fraction Csp3
0.15
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
3
Molar refractivity
129.33
TPSA
91.42

LogP / Solubility

WLOGP
5.46
MLOGP
4.85
XLogP3
5.5
Consensus LogP
5.27
Log S (ESOL)
-6.49
Class (ESOL)
Insoluble
Log S (Ali)
-7.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.2
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.92

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
4

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