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CAS 625095-57-0 (S)-1-(3-Chlorophenyl)-1,3-propanediol molecular structure lightbox
CAS RN: 625095-57-0

(S)-1-(3-Chlorophenyl)-1,3-propanediol

Product Availability

Choose a grade to view its available package options.

3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250204 1g In stock Shanghai Inquiry
Batchno.20250716 25g Out of stock 8-10 business days Inquiry
Batchno.20251025 5g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-171705
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 0.1g, 0.25g, 1g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 625095-57-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 2 In Stock Shenzhen Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Shanghai Inquiry
10g >95% 0 Out of Stock Hong Kong Inquiry

625095-57-0 / (1S)-1-(3-chlorophenyl)propane-1,3-diol

Standard CAS: 625095-57-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
625095-57-0
Multi CAS
Yes
Molecular Formula
C9H11CLO2
Molecular Weight
186.630000
Exact Mass
186.044757
InChI
InChI=1S/C9H11ClO2/c10-8-3-1-2-7(6-8)9(12)4-5-11/h1-3,6,9,11-12H,4-5H2/t9-/m0/s1
InChIKey
VJGRFGFLZJIODS-VIFPVBQESA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.11
TPSA
40.46

LogP / Solubility

WLOGP
1.76
MLOGP
1.54
XLogP3
1.4
Consensus LogP
1.57
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
Class (SILICOS-IT)
Moderately 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)
-2.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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