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CAS 1202769-72-9 (R)-2-(thiazol-2-yl)but-3-yn-2-ol(WXC05188) molecular structure lightbox
CAS RN: 1202769-72-9

(R)-2-(thiazol-2-yl)but-3-yn-2-ol(WXC05188)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251218 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-021132
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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 1202769-72-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1202769-72-9 / (2R)-2-(1,3-thiazol-2-yl)but-3-yn-2-ol

(r)-2-(thiazol-2-yl)but-3-yn-2-ol | (2R)-2-(1,3-thiazol-2-yl)but-3-yn-2-ol | MFCD30472071

Standard CAS: 1202769-72-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1202769-72-9
Multi CAS
No
Molecular Formula
C7H7NOS
Molecular Weight
153.200000
Exact Mass
153.024835
SMILES
C[C@@](C#C)(C1=NC=CS1)O
InChI
InChI=1S/C7H7NOS/c1-3-7(2,9)6-8-4-5-10-6/h1,4-5,9H,2H3/t7-/m1/s1
InChIKey
JJCFOOAPKUJAIV-SSDOTTSWSA-N
Synonyms
(r)-2-(thiazol-2-yl)but-3-yn-2-ol (2R)-2-(1,3-thiazol-2-yl)but-3-yn-2-ol MFCD30472071 (2R)-2-(1,3-Thiazol-2-yl)-3-butyn-2-ol orb3143779

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.52
TPSA
33.12

LogP / Solubility

WLOGP
0.98
MLOGP
0.86
XLogP3
0.6
Consensus LogP
0.81
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
Class (SILICOS-IT)
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)
-2.96

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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