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CAS 86728-85-0 Ethyl (S)-4-Chloro-3-hydroxybutyrate molecular structure lightbox
CAS RN: 86728-85-0

Ethyl (S)-4-Chloro-3-hydroxybutyrate

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260125 1g / 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Hebei 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250814 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-196011
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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: 100g
  • 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 86728-85-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g >97% 0 Out of Stock Beijing Inquiry

86728-85-0 / ethyl (3R)-4-chloro-3-hydroxybutanoate

Standard CAS: 86728-85-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
86728-85-0
Multi CAS
Yes
Molecular Formula
C6H11CLO3
Molecular Weight
166.600000
Exact Mass
166.039672
InChI
InChI=1S/C6H11ClO3/c1-2-10-6(9)3-5(8)4-7/h5,8H,2-4H2,1H3/t5-/m1/s1
InChIKey
ZAJNMXDBJKCCAT-RXMQYKEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
37.98
TPSA
46.53

LogP / Solubility

WLOGP
0.54
MLOGP
0.47
XLogP3
0.4
Consensus LogP
0.47
Log S (ESOL)
-0.95
Class (ESOL)
Very soluble
Log S (Ali)
-1.32
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
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)
-3.35

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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