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CAS 183201-49-2 (R)-1-cyclopentyl-1-phenylethane-1,2-diol molecular structure lightbox
CAS RN: 183201-49-2

(R)-1-cyclopentyl-1-phenylethane-1,2-diol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251216 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-084760
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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 183201-49-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

183201-49-2 / (1R)-1-cyclopentyl-1-phenylethane-1,2-diol

Standard CAS: 183201-49-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
183201-49-2
Multi CAS
No
Molecular Formula
C13H18O2
Molecular Weight
206.280000
Exact Mass
206.130680
SMILES
C1CCC(C1)[C@](CO)(C2=CC=CC=C2)O
InChI
InChI=1S/C13H18O2/c14-10-13(15,12-8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7,12,14-15H,4-5,8-10H2/t13-/m0/s1
InChIKey
PZTPLIMWPOIMPS-ZDUSSCGKSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
59.38
TPSA
40.46

LogP / Solubility

WLOGP
2.06
MLOGP
1.81
XLogP3
2
Consensus LogP
1.96
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
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)
-2.52

Drug-likeness / Medicinal Chemistry

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

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