[email protected]
CAS 94-50-8 octyl benzoate molecular structure lightbox
CAS RN: 94-50-8

octyl benzoate

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250301 1g / 5g / 10g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-208548
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 1g, 0.1g, 0.25g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 7
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 94-50-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g -- 5 In Stock Beijing Inquiry
5g ≥95% 5 In Stock Hong Kong Inquiry
1g -- 3 In Stock Beijing Inquiry
1g ≥95% 3 In Stock Shenzhen Inquiry
0.1g -- 1 In Stock Shanghai Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g -- 1 In Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
10g -- 0 Out of Stock Shenzhen Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry

94-50-8 / octyl benzoate

Standard CAS: 94-50-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
94-50-8
Multi CAS
Yes
Molecular Formula
C15H22O2
Molecular Weight
234.330000
Exact Mass
234.161980
InChI
InChI=1S/C15H22O2/c1-2-3-4-5-6-10-13-17-15(16)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3
InChIKey
VECVSKFWRQYTAL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
8
H-bond acceptors
2
Molar refractivity
70.1
TPSA
26.3

LogP / Solubility

WLOGP
4.2
MLOGP
3.7
XLogP3
5.7
Consensus LogP
4.53
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.63
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us