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CAS 720-44-5 4-Methoxybenzhydrol molecular structure lightbox
CAS RN: 720-44-5

4-Methoxybenzhydrol

  • Product code: SSC-181537
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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: 25g
  • Available purity: ＞97%
  • 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 720-44-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry

720-44-5 / (4-methoxyphenyl)-phenylmethanol

Standard CAS: 720-44-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
720-44-5
Multi CAS
Yes
Molecular Formula
C14H14O2
Molecular Weight
214.260000
Exact Mass
214.099380
InChI
InChI=1S/C14H14O2/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-10,14-15H,1H3
InChIKey
BEGZWXVLBIZFKQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.5
TPSA
29.46

LogP / Solubility

WLOGP
2.78
MLOGP
2.45
XLogP3
2.6
Consensus LogP
2.61
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
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)
-2.06

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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