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CAS 369402-98-2 2-(FMoc-aMino)-2-(1,1-dioxo-4-tetrahydrothiopyranyl)acetic Acid molecular structure lightbox
CAS RN: 369402-98-2

2-(FMoc-aMino)-2-(1,1-dioxo-4-tetrahydrothiopyranyl)acetic Acid

  • Product code: SSC-144224
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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: 0.1g, 0.25g, 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 369402-98-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

369402-98-2 / 2-(1,1-dioxothian-4-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid

Standard CAS: 369402-98-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
369402-98-2
Multi CAS
No
Molecular Formula
C22H23NO6S
Molecular Weight
429.500000
Exact Mass
429.124609
InChI
InChI=1S/C22H23NO6S/c24-21(25)20(14-9-11-30(27,28)12-10-14)23-22(26)29-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,14,19-20H,9-13H2,(H,23,26)(H,24,25)
InChIKey
CFGFSMGWGYVIDH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
111.01
TPSA
109.77

LogP / Solubility

WLOGP
2.8
MLOGP
2.49
XLogP3
2.8
Consensus LogP
2.7
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.38
Class (SILICOS-IT)
Slightly soluble

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)
-3.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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