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CAS 1208395-99-6 (4-Hydroxyphenyl)(4-(prop-2-yn-1-yloxy)phenyl)methanone molecular structure lightbox
CAS RN: 1208395-99-6

(4-Hydroxyphenyl)(4-(prop-2-yn-1-yloxy)phenyl)methanone

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260113 100mg In stock Inquiry
Batchno.20250213 1g In stock Inquiry
Batchno.20251211 250mg In stock Inquiry
  • Product code: SSC-022190
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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 1208395-99-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1208395-99-6 / (4-hydroxyphenyl)-(4-prop-2-ynoxyphenyl)methanone

(4-Hydroxyphenyl)(4-(prop-2-yn-1-yloxy)phenyl)methanone | Methanone, (4-hydroxyphenyl)[4-(2-propyn-1-yloxy)phenyl]- | MFCD28124082

Standard CAS: 1208395-99-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1208395-99-6
Multi CAS
No
Molecular Formula
C16H12O3
Molecular Weight
252.260000
Exact Mass
252.078644
SMILES
C#CCOC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)O
InChI
InChI=1S/C16H12O3/c1-2-11-19-15-9-5-13(6-10-15)16(18)12-3-7-14(17)8-4-12/h1,3-10,17H,11H2
InChIKey
TZKIHDJSIXVMIQ-UHFFFAOYSA-N
Synonyms
(4-Hydroxyphenyl)(4-(prop-2-yn-1-yloxy)phenyl)methanone Methanone, (4-hydroxyphenyl)[4-(2-propyn-1-yloxy)phenyl]- MFCD28124082 (4-Hydroxyphenyl)[4-(2-propyn-1-yloxy)phenyl]methanone 4-[4-(PROP-2-YN-1-YLOXY)BENZOYL]PHENOL

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.06
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
72.31
TPSA
46.53

LogP / Solubility

WLOGP
2.64
MLOGP
2.33
XLogP3
3
Consensus LogP
2.66
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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