CAS 337903-59-0 N-Diphenylmethylene-O-(2,3,6,2′,3′,4′,6′-hepta-O-acetyl–D-lactosyl)-L-serine, Benzyl Ester molecular structure

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CAS RN: 337903-59-0

N-Diphenylmethylene-O-(2,3,6,2′,3′,4′,6′-hepta-O-acetyl–D-lactosyl)-L-serine, Benzyl Ester

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Batch No.	Package	Availability	Lead Time	Inquiry
Batchno.20250817	100mg	Out of stock	30 business days	Inquiry

Product code: starshine_CAS337903-59-0
Purity/Analytical Methods: >99.0%

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337903-59-0 / benzyl (2S)-2-(benzhydrylideneamino)-3-[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropanoate

Standard CAS: 337903-59-0 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

337903-59-0

Multi CAS

Yes

Molecular Formula

C49H55NO20

Molecular Weight

978.000000

Exact Mass

977.331743

InChI

InChI=1S/C49H55NO20/c1-27(51)59-25-38-41(63-29(3)53)43(64-30(4)54)46(67-33(7)57)49(69-38)70-42-39(26-60-28(2)52)68-48(45(66-32(6)56)44(42)65-31(5)55)62-24-37(47(58)61-23-34-17-11-8-12-18-34)50-40(35-19-13-9-14-20-35)36-21-15-10-16-22-36/h8-22,37-39,41-46,48-49H,23-26H2,1-7H3/t37?,38?,39?,41-,42+,43?,44?,45?,46?,48+,49-/m0/s1

InChIKey

WEDQXMFONKFJMH-MFYMRPFGSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.45

Rotatable bonds

H-bond acceptors

Molar refractivity

237.73

TPSA

259.68

LogP / Solubility

WLOGP

3.27

MLOGP

2.97

XLogP3

Consensus LogP

3.41

Log S (ESOL)

-6.84

Class (ESOL)

Insoluble

Log S (Ali)

-9.94

Class (Ali)

Insoluble

Log S (SILICOS-IT)

-11.13

Class (SILICOS-IT)

Insoluble

ADME

GI absorption

Low

BBB permeant

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Yes

Log Kp (skin permeation)

-6.36

Drug-likeness / Medicinal Chemistry

Lipinski

Ghose

Veber

Egan

Muegge

Bioavailability score

0.17

Brenk alerts

Leadlikeness

Synthetic Accessibility

N-Diphenylmethylene-O-(2,3,6,2′,3′,4′,6′-hepta-O-acetyl–D-lactosyl)-L-serine, Benzyl Ester

Product Availability

337903-59-0 / benzyl (2S)-2-(benzhydrylideneamino)-3-[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropanoate

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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