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CAS 96829-58-2 Orlistat molecular structure lightbox
CAS RN: 96829-58-2

Orlistat

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260317 100g In stock Shanghai, Shenzhen Inquiry
Batchno.20250830 1g In stock Shanghai, Tianjin Inquiry
Batchno.20251208 25g In stock Shanghai Inquiry
Batchno.20260507 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-212115
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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: 25g
  • Available purity: ≥97%
  • 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 96829-58-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry

96829-58-2 / 1-(3-hexyl-4-oxooxetan-2-yl)tridecan-2-yl 2-formamido-4-methylpentanoate

Standard CAS: 96829-58-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
96829-58-2
Multi CAS
Yes
Molecular Formula
C29H53NO5
Molecular Weight
495.700000
Exact Mass
495.392374
InChI
InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)
InChIKey
AHLBNYSZXLDEJQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Fraction Csp3
0.9
Rotatable bonds
23
H-bond acceptors
5
H-bond donors
1
Molar refractivity
140.91
TPSA
81.7

LogP / Solubility

WLOGP
6.88
MLOGP
6.09
XLogP3
10
Consensus LogP
7.66
Log S (ESOL)
-5.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.35
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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