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CAS 99281-95-5 BOC-L-PHENYLALANINE THIOAMIDE molecular structure lightbox
CAS RN: 99281-95-5

BOC-L-PHENYLALANINE THIOAMIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260415 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-213069
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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 99281-95-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

99281-95-5 / tert-butyl N-[(2S)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]carbamate

Standard CAS: 99281-95-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
99281-95-5
Multi CAS
Yes
Molecular Formula
C14H20N2O2S
Molecular Weight
280.390000
Exact Mass
280.124549
InChI
InChI=1S/C14H20N2O2S/c1-14(2,3)18-13(17)16-11(12(15)19)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H2,15,19)(H,16,17)/t11-/m0/s1
InChIKey
NMNBNAKCWAWQSR-NSHDSACASA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
80.09
TPSA
64.35

LogP / Solubility

WLOGP
2.41
MLOGP
2.13
XLogP3
1.9
Consensus LogP
2.15
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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