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CAS 353245-98-4 FMOC-L-BETA-HOMOTRYPTOPHAN molecular structure lightbox
CAS RN: 353245-98-4

FMOC-L-BETA-HOMOTRYPTOPHAN

  • Product code: SSC-142291
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 353245-98-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

353245-98-4 / (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(1H-indol-3-yl)butanoic acid

Standard CAS: 353245-98-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
353245-98-4
Multi CAS
Yes
Molecular Formula
C27H24N2O4
Molecular Weight
440.500000
Exact Mass
440.173607
InChI
InChI=1S/C27H24N2O4/c30-26(31)14-18(13-17-15-28-25-12-6-5-7-19(17)25)29-27(32)33-16-24-22-10-3-1-8-20(22)21-9-2-4-11-23(21)24/h1-12,15,18,24,28H,13-14,16H2,(H,29,32)(H,30,31)/t18-/m0/s1
InChIKey
SXHPYIHTNVXINO-SFHVURJKSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
21
Fraction Csp3
0.19
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
3
Molar refractivity
126.25
TPSA
91.42

LogP / Solubility

WLOGP
5.09
MLOGP
4.51
XLogP3
4.7
Consensus LogP
4.77
Log S (ESOL)
-5.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.59
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)
-1.79

Drug-likeness / Medicinal Chemistry

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

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