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CAS 191482-37-8 Phenylmethyl 2-deoxy-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-3-O-(phenylmethyl)-4,6-O-[(R)-phenylmethylene]-beta-D-glucopyranoside molecular structure lightbox
CAS RN: 191482-37-8

Phenylmethyl 2-deoxy-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-3-O-(phenylmethyl)-4,6-O-[(R)-phenylmethylene]-beta-D-glucopyranoside

  • Product code: SSC-089685
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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 191482-37-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

191482-37-8 / 2-[(2R,4aR,6R,7R,8R,8aS)-2-phenyl-6,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]isoindole-1,3-dione

Standard CAS: 191482-37-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
191482-37-8
Multi CAS
No
Molecular Formula
C35H31NO7
Molecular Weight
577.600000
Exact Mass
577.210052
SMILES
C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O)OCC6=CC=CC=C6)O[C@@H](O1)C7=CC=CC=C7
InChI
InChI=1S/C35H31NO7/c37-32-26-18-10-11-19-27(26)33(38)36(32)29-31(39-20-23-12-4-1-5-13-23)30-28(22-41-34(43-30)25-16-8-3-9-17-25)42-35(29)40-21-24-14-6-2-7-15-24/h1-19,28-31,34-35H,20-22H2/t28-,29-,30-,31-,34-,35-/m1/s1
InChIKey
MOIKJQYGONYODK-JCSKESALSA-N

Computed Properties

Structural Parameters

Heavy atom count
43
Aromatic heavy atom count
24
Fraction Csp3
0.26
Rotatable bonds
8
H-bond acceptors
7
Molar refractivity
155.65
TPSA
83.53

LogP / Solubility

WLOGP
5.29
MLOGP
4.7
XLogP3
4.8
Consensus LogP
4.93
Log S (ESOL)
-6.64
Class (ESOL)
Insoluble
Log S (Ali)
-8.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.77
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.49

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9

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