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CAS 13189-98-5 Fudosteine molecular structure lightbox
CAS RN: 13189-98-5

Fudosteine

Product Availability

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260417 100g In stock Shenzhen Inquiry
Batchno.20260620 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250512 25g Out of stock Inquiry
Batchno.20250224 5g Out of stock Inquiry
  • Product code: SSC-038970
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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: 25g
  • Available purity: ＞97%
  • 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 13189-98-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry

13189-98-5 / (2R)-2-amino-3-(3-hydroxypropylsulfanyl)propanoic acid

Standard CAS: 13189-98-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13189-98-5
Multi CAS
No
Molecular Formula
C6H13NO3S
Molecular Weight
179.240000
Exact Mass
179.061614
SMILES
C(CO)CSC[C@@H](C(=O)O)N
InChI
InChI=1S/C6H13NO3S/c7-5(6(9)10)4-11-3-1-2-8/h5,8H,1-4,7H2,(H,9,10)/t5-/m0/s1
InChIKey
KINWYTAUPKOPCQ-YFKPBYRVSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.83
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
44.64
TPSA
83.55

LogP / Solubility

WLOGP
-0.49
MLOGP
-0.43
XLogP3
-3
Consensus LogP
-1.31
Log S (ESOL)
-0.25
Class (ESOL)
Very soluble
Log S (Ali)
-0.68
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.14
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.16

Drug-likeness / Medicinal Chemistry

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

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