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CAS 1222-87-3 2-(2-METHYLPHENOXY)-4H-1,3,2-BENZODIOXAPHOSPHORIN 2-OXIDE molecular structure lightbox
CAS RN: 1222-87-3

2-(2-METHYLPHENOXY)-4H-1,3,2-BENZODIOXAPHOSPHORIN 2-OXIDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250125 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-025199
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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, 5g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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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 1222-87-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shanghai Inquiry
0.25g ≥95% 5 In Stock Beijing Inquiry
1g ≥95% 5 In Stock Shanghai Inquiry
5g ≥95% 5 In Stock Beijing Inquiry
10g ≥95% 5 In Stock Shenzhen Inquiry

1222-87-3 / 2-(2-methylphenoxy)-4H-1,3,2lambda5-benzodioxaphosphinine 2-oxide

Standard CAS: 1222-87-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1222-87-3
Multi CAS
No
Molecular Formula
C14H13O4P
Molecular Weight
276.220000
Exact Mass
276.055146
SMILES
CC1=CC=CC=C1OP2(=O)OCC3=CC=CC=C3O2
InChI
InChI=1S/C14H13O4P/c1-11-6-2-4-8-13(11)17-19(15)16-10-12-7-3-5-9-14(12)18-19/h2-9H,10H2,1H3
InChIKey
LKQSEFCGKYFESN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
71.27
TPSA
44.76

LogP / Solubility

WLOGP
4.09
MLOGP
3.61
XLogP3
3.1
Consensus LogP
3.6
Log S (ESOL)
-4.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.5

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
2

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