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CAS 32595-59-8 BETA-(2-THIENYL)-DL-SERINE molecular structure lightbox
CAS RN: 32595-59-8

BETA-(2-THIENYL)-DL-SERINE

  • Product code: SSC-138208
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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: ＞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 32595-59-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

32595-59-8 / 2-amino-3-hydroxy-3-thiophen-2-ylpropanoic acid

Standard CAS: 32595-59-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
32595-59-8
Multi CAS
Yes
Molecular Formula
C7H9NO3S
Molecular Weight
187.220000
Exact Mass
187.030314
InChI
InChI=1S/C7H9NO3S/c8-5(7(10)11)6(9)4-2-1-3-12-4/h1-3,5-6,9H,8H2,(H,10,11)
InChIKey
GNUCLSFLDHLOBV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
44.89
TPSA
83.55

LogP / Solubility

WLOGP
0.19
MLOGP
0.17
XLogP3
-2.8
Consensus LogP
-0.81
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-3.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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