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CAS 110675-04-2 O1-(DIMETHOXYTRITYL)PROPANE-1,3-DIOL molecular structure lightbox
CAS RN: 110675-04-2

O1-(DIMETHOXYTRITYL)PROPANE-1,3-DIOL

  • Product code: SSC-011649
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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 110675-04-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

110675-04-2 / 3-[bis(4-methoxyphenyl)-phenylmethoxy]propan-1-ol

1-Propanol, 3-[bis(4-methoxyphenyl)phenylmethoxy]- | 3-[bis(4-methoxyphenyl)-phenylmethoxy]propan-1-ol | O1-(DIMETHOXYTRITYL)PROPANE-1,3-DIOL

Standard CAS: 110675-04-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
110675-04-2
Multi CAS
No
Molecular Formula
C24H26O4
Molecular Weight
378.500000
Exact Mass
378.183109
SMILES
COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCCCO
InChI
InChI=1S/C24H26O4/c1-26-22-13-9-20(10-14-22)24(28-18-6-17-25,19-7-4-3-5-8-19)21-11-15-23(27-2)16-12-21/h3-5,7-16,25H,6,17-18H2,1-2H3
InChIKey
AVFKDTKFKUWROL-UHFFFAOYSA-N
Synonyms
1-Propanol, 3-[bis(4-methoxyphenyl)phenylmethoxy]- 3-[bis(4-methoxyphenyl)-phenylmethoxy]propan-1-ol O1-(DIMETHOXYTRITYL)PROPANE-1,3-DIOL 3-(BIS(4-METHOXYPHENYL)(PHENYL)METHOXY)PROPAN-1-OL 3-[BIS(4-METHOXYPHENYL)(PHENYL)METHOXY]PROPAN-1-OL

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.25
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
1
Molar refractivity
109.97
TPSA
47.92

LogP / Solubility

WLOGP
4.39
MLOGP
3.89
XLogP3
4.4
Consensus LogP
4.23
Log S (ESOL)
-4.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.85
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
Yes
Log Kp (skin permeation)
-1.91

Drug-likeness / Medicinal Chemistry

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

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