[email protected]
CAS 140615-77-6 4-Methoxyphenyl 4-O-Acetyl-3,6-di-O-benzyl-2-deoxy-2-phthalimido-β-D-glucopyranoside molecular structure lightbox
CAS RN: 140615-77-6

4-Methoxyphenyl 4-O-Acetyl-3,6-di-O-benzyl-2-deoxy-2-phthalimido-β-D-glucopyranoside

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251025 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-051156
GET A QUOTE
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
Request Bulk Quote

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 140615-77-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

140615-77-6 / [(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-(4-methoxyphenoxy)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] acetate

Standard CAS: 140615-77-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
140615-77-6
Multi CAS
No
Molecular Formula
C37H35NO9
Molecular Weight
637.700000
Exact Mass
637.231182
SMILES
CC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1OCC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O)OC5=CC=C(C=C5)OC)COCC6=CC=CC=C6
InChI
InChI=1S/C37H35NO9/c1-24(39)45-33-31(23-43-21-25-11-5-3-6-12-25)47-37(46-28-19-17-27(42-2)18-20-28)32(34(33)44-22-26-13-7-4-8-14-26)38-35(40)29-15-9-10-16-30(29)36(38)41/h3-20,31-34,37H,21-23H2,1-2H3/t31-,32-,33-,34-,37-/m1/s1
InChIKey
QZTMIUALKXAHCQ-LEWWELECSA-N

Computed Properties

Structural Parameters

Heavy atom count
47
Aromatic heavy atom count
24
Fraction Csp3
0.27
Rotatable bonds
12
H-bond acceptors
9
Molar refractivity
169.68
TPSA
109.83

LogP / Solubility

WLOGP
5.2
MLOGP
4.63
XLogP3
5.2
Consensus LogP
5.01
Log S (ESOL)
-6.65
Class (ESOL)
Insoluble
Log S (Ali)
-8.54
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.56
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)
-2.92

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8

Customers Also Viewed

Get In Touch

Contact Us