CAS 17401-06-8 (-)-1,4-Di-O-benzyl-L-threitol molecular structure

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CAS RN: 17401-06-8

(-)-1,4-Di-O-benzyl-L-threitol

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1 package records1 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20250612	250mg / 1g / 5g	Confirm by inquiry	Shanghai	Inquiry

Product code: SSC-076379

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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 17401-06-8
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	≥95%	0 Out of Stock	Shanghai	Inquiry

17401-06-8 / (2S,3S)-1,4-bis(phenylmethoxy)butane-2,3-diol

Standard CAS: 17401-06-8 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

17401-06-8

Multi CAS

Molecular Formula

C18H22O4

Molecular Weight

302.400000

Exact Mass

302.151809

SMILES

C1=CC=C(C=C1)COC[C@@H]([C@H](COCC2=CC=CC=C2)O)O

InChI

InChI=1S/C18H22O4/c19-17(13-21-11-15-7-3-1-4-8-15)18(20)14-22-12-16-9-5-2-6-10-16/h1-10,17-20H,11-14H2/t17-,18-/m0/s1

InChIKey

YAVAVQDYJARRAU-ROUUACIJSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.33

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

84.21

TPSA

58.92

LogP / Solubility

WLOGP

2.14

MLOGP

1.9

XLogP3

1.7

Consensus LogP

1.91

Log S (ESOL)

-2.87

Class (ESOL)

Moderately soluble

Log S (Ali)

-3.59

Class (Ali)

Poorly soluble

Log S (SILICOS-IT)

-4.48

Class (SILICOS-IT)

Slightly soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

Yes

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-3.04

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

3.5

(-)-1,4-Di-O-benzyl-L-threitol

Product Availability

Historical Supply Reference

Reference Pack Sizes

17401-06-8 / (2S,3S)-1,4-bis(phenylmethoxy)butane-2,3-diol

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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