[email protected]
CAS 259737-86-5 3 4-PROPYLENEDIOXYPYRROLE 2% (W/V) IN T& molecular structure lightbox
CAS RN: 259737-86-5

3 4-PROPYLENEDIOXYPYRROLE 2% (W/V) IN T&

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260403 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-122732
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: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 259737-86-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry
1g ≥95% 1 In Stock Hong Kong Inquiry

259737-86-5 / 2,3,4,7-tetrahydro-[1,4]dioxepino[2,3-c]pyrrole

Standard CAS: 259737-86-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
259737-86-5
Multi CAS
No
Molecular Formula
C7H9NO2
Molecular Weight
139.150000
Exact Mass
139.063329
SMILES
C1COC2=CNC=C2OC1
InChI
InChI=1S/C7H9NO2/c1-2-9-6-4-8-5-7(6)10-3-1/h4-5,8H,1-3H2
InChIKey
AURPDCSZNCSKNM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.43
H-bond acceptors
2
H-bond donors
1
Molar refractivity
36.4
TPSA
34.25

LogP / Solubility

WLOGP
1.18
MLOGP
1.03
XLogP3
0.8
Consensus LogP
1
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.73

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us