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CAS 1699-58-7 3,4-bis(benzyloxy)benzyl alcohol molecular structure lightbox
CAS RN: 1699-58-7

3,4-bis(benzyloxy)benzyl alcohol

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260305 1g In stock Inquiry
Batchno.20260322 250mg In stock Inquiry
Batchno.20260127 50mg In stock Inquiry
  • Product code: SSC-074517
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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: 0.25g
  • 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 1699-58-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1699-58-7 / [3,4-bis(phenylmethoxy)phenyl]methanol

Standard CAS: 1699-58-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1699-58-7
Multi CAS
No
Molecular Formula
C21H20O3
Molecular Weight
320.400000
Exact Mass
320.141245
SMILES
C1=CC=C(C=C1)COC2=C(C=C(C=C2)CO)OCC3=CC=CC=C3
InChI
InChI=1S/C21H20O3/c22-14-19-11-12-20(23-15-17-7-3-1-4-8-17)21(13-19)24-16-18-9-5-2-6-10-18/h1-13,22H,14-16H2
InChIKey
LADVXQNFPXBLDY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
93.91
TPSA
38.69

LogP / Solubility

WLOGP
4.34
MLOGP
3.83
XLogP3
3.7
Consensus LogP
3.96
Log S (ESOL)
-4.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.18
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)
-1.6

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P273, P391, and P501

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