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CAS 49548-40-5 N-BENZYLOXYCARBONYLGLYCINE THIOAMIDE molecular structure lightbox
CAS RN: 49548-40-5

N-BENZYLOXYCARBONYLGLYCINE THIOAMIDE

  • Product code: SSC-155765
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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 49548-40-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

49548-40-5 / benzyl N-(2-amino-2-sulfanylideneethyl)carbamate

Standard CAS: 49548-40-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
49548-40-5
Multi CAS
Yes
Molecular Formula
C10H12N2O2S
Molecular Weight
224.280000
Exact Mass
224.061949
InChI
InChI=1S/C10H12N2O2S/c11-9(15)6-12-10(13)14-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,15)(H,12,13)
InChIKey
NWHXDCPLGZXNOR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
61.42
TPSA
64.35

LogP / Solubility

WLOGP
1.2
MLOGP
1.06
XLogP3
1
Consensus LogP
1.09
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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