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CAS 3405-88-7 (4-CHLOROPHENYLTHIO)ACETIC ACID molecular structure lightbox
CAS RN: 3405-88-7

(4-CHLOROPHENYLTHIO)ACETIC ACID

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251015 1g In stock Inquiry
Batchno.20250509 25g In stock Inquiry
Batchno.20250104 5g In stock Inquiry
  • Product code: SSC-140274
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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: 5g
  • 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 3405-88-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

3405-88-7 / 2-(4-chlorophenyl)sulfanylacetic acid

Standard CAS: 3405-88-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3405-88-7
Multi CAS
Yes
Molecular Formula
C8H7CLO2S
Molecular Weight
202.660000
Exact Mass
201.985528
InChI
InChI=1S/C8H7ClO2S/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey
YPKLXLYGMAWXDO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.81
TPSA
37.3

LogP / Solubility

WLOGP
2.52
MLOGP
2.22
XLogP3
2.5
Consensus LogP
2.41
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly 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)
-2.17

Drug-likeness / Medicinal Chemistry

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

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