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CAS 40435-14-1 (S)-(+)-1-PHENYL-1,2-ETHANEDIOL 2-TOSYLATE molecular structure lightbox
CAS RN: 40435-14-1

(S)-(+)-1-PHENYL-1,2-ETHANEDIOL 2-TOSYLATE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250530 1g In stock Shanghai Inquiry
  • Product code: SSC-148604
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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 40435-14-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

40435-14-1 / [(2R)-2-hydroxy-2-phenylethyl] 4-methylbenzenesulfonate

Standard CAS: 40435-14-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
40435-14-1
Multi CAS
Yes
Molecular Formula
C15H16O4S
Molecular Weight
292.400000
Exact Mass
292.076930
InChI
InChI=1S/C15H16O4S/c1-12-7-9-14(10-8-12)20(17,18)19-11-15(16)13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3/t15-/m1/s1
InChIKey
IOTJIFRGXYQHAQ-OAHLLOKOSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
75.72
TPSA
63.6

LogP / Solubility

WLOGP
2.43
MLOGP
2.15
XLogP3
2.4
Consensus LogP
2.33
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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