[email protected]
CAS 2255-17-6 FENITROTHION-O-ANALOG molecular structure lightbox
CAS RN: 2255-17-6

FENITROTHION-O-ANALOG

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250330 1ml Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2255-17-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

2255-17-6 / dimethyl (3-methyl-4-nitrophenyl) phosphate

Standard CAS: 2255-17-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2255-17-6
Multi CAS
No
Molecular Formula
C9H12NO6P
Molecular Weight
261.170000
Exact Mass
261.040224
SMILES
CC1=C(C=CC(=C1)OP(=O)(OC)OC)[N+](=O)[O-]
InChI
InChI=1S/C9H12NO6P/c1-7-6-8(4-5-9(7)10(11)12)16-17(13,14-2)15-3/h4-6H,1-3H3
InChIKey
MJNAIAPNXYJWCT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
60.09
TPSA
87.9

LogP / Solubility

WLOGP
2.68
MLOGP
2.37
XLogP3
1.7
Consensus LogP
2.25
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.18
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)
-2.41

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us