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CAS 1864064-93-6 Methyl 3-Cyclopentyl-3-(3-hydroxyphenyl)propanoate molecular structure lightbox
CAS RN: 1864064-93-6

Methyl 3-Cyclopentyl-3-(3-hydroxyphenyl)propanoate

  • Product code: SSC-086506
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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: 0.1g, 0.25g, 1g, 5g
  • 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 1864064-93-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Shenzhen Inquiry
0.25g >95% 0 Out of Stock Shenzhen Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry
5g >95% 0 Out of Stock Shanghai Inquiry

1864064-93-6 / methyl 3-cyclopentyl-3-(3-hydroxyphenyl)propanoate

Standard CAS: 1864064-93-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1864064-93-6
Multi CAS
No
Molecular Formula
C15H20O3
Molecular Weight
248.320000
Exact Mass
248.141245
SMILES
COC(=O)CC(C1CCCC1)C2=CC(=CC=C2)O
InChI
InChI=1S/C15H20O3/c1-18-15(17)10-14(11-5-2-3-6-11)12-7-4-8-13(16)9-12/h4,7-9,11,14,16H,2-3,5-6,10H2,1H3
InChIKey
DREPTURAIYYBLC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.44
TPSA
46.53

LogP / Solubility

WLOGP
3.23
MLOGP
2.85
XLogP3
3.6
Consensus LogP
3.23
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.43
Class (SILICOS-IT)
Slightly 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)
-1.94

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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