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CAS 27113-23-1 8-PARADOL molecular structure lightbox
CAS RN: 27113-23-1

8-PARADOL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250828 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-125905
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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 27113-23-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

27113-23-1 / 1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one

Standard CAS: 27113-23-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
27113-23-1
Multi CAS
Yes
Molecular Formula
C19H30O3
Molecular Weight
306.400000
Exact Mass
306.219495
InChI
InChI=1S/C19H30O3/c1-3-4-5-6-7-8-9-10-17(20)13-11-16-12-14-18(21)19(15-16)22-2/h12,14-15,21H,3-11,13H2,1-2H3
InChIKey
TYQRTQZWHUXDLG-UHFFFAOYSA-N

Physical Properties

Melting Point
42 - 43 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.63
Rotatable bonds
12
H-bond acceptors
3
H-bond donors
1
Molar refractivity
90.6
TPSA
46.53

LogP / Solubility

WLOGP
5.04
MLOGP
4.45
XLogP3
4.9
Consensus LogP
4.8
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.28
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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