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CAS 27688-86-4 3,4-bis(benzyloxy)phenol molecular structure lightbox
CAS RN: 27688-86-4

3,4-bis(benzyloxy)phenol

  • Product code: SSC-127915
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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: ＞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 27688-86-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

27688-86-4 / 3,4-bis(phenylmethoxy)phenol

Standard CAS: 27688-86-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27688-86-4
Multi CAS
No
Molecular Formula
C20H18O3
Molecular Weight
306.400000
Exact Mass
306.125594
InChI
InChI=1S/C20H18O3/c21-18-11-12-19(22-14-16-7-3-1-4-8-16)20(13-18)23-15-17-9-5-2-6-10-17/h1-13,21H,14-15H2
InChIKey
QZYWERULTIYXBW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
89.65
TPSA
38.69

LogP / Solubility

WLOGP
4.55
MLOGP
4.02
XLogP3
4.5
Consensus LogP
4.36
Log S (ESOL)
-4.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.15
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.36

Drug-likeness / Medicinal Chemistry

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

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