CAS 143520-19-8 2,3,4,6-Tetra-O-benzyl-α-D-glucopyranosyl N,N,N’,N’-Tetramethylphosphorodiamidate (ca. 20% in Benzene) molecular structure

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CAS RN: 143520-19-8

2,3,4,6-Tetra-O-benzyl-α-D-glucopyranosyl N,N,N’,N’-Tetramethylphosphorodiamidate (ca. 20% in Benzene)

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Batch No.	Package	Availability	Lead Time	Inquiry
Batchno.20260403	1g	Out of stock	30 business days	Inquiry

Product code: ICTT2197

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143520-19-8 / N-[dimethylamino-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyphosphoryl]-N-methylmethanamine

Standard CAS: 143520-19-8 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

143520-19-8

Multi CAS

Molecular Formula

C38H47N2O7P

Molecular Weight

674.800000

Exact Mass

674.312089

SMILES

CN(C)P(=O)(N(C)C)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C38H47N2O7P/c1-39(2)48(41,40(3)4)47-38-37(45-28-33-23-15-8-16-24-33)36(44-27-32-21-13-7-14-22-32)35(43-26-31-19-11-6-12-20-31)34(46-38)29-42-25-30-17-9-5-10-18-30/h5-24,34-38H,25-29H2,1-4H3/t34-,35-,36+,37-,38-/m1/s1

InChIKey

RTYAYXUZHPWJOK-JTDOPDNRSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.37

Rotatable bonds

H-bond acceptors

Molar refractivity

185.88

TPSA

78.93

LogP / Solubility

WLOGP

6.93

MLOGP

6.16

XLogP3

5.3

Consensus LogP

6.13

Log S (ESOL)

-7.64

Class (ESOL)

Insoluble

Log S (Ali)

-10.1

Class (Ali)

Insoluble

Log S (SILICOS-IT)

-11.84

Class (SILICOS-IT)

Insoluble

ADME

GI absorption

Low

BBB permeant

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

Yes

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Yes

Log Kp (skin permeation)

-1.91

Drug-likeness / Medicinal Chemistry

Lipinski

Ghose

Veber

Egan

Muegge

Bioavailability score

0.17

Brenk alerts

Leadlikeness

Synthetic Accessibility

7.5

2,3,4,6-Tetra-O-benzyl-α-D-glucopyranosyl N,N,N’,N’-Tetramethylphosphorodiamidate (ca. 20% in Benzene)

Product Availability

143520-19-8 / N-[dimethylamino-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyphosphoryl]-N-methylmethanamine

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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