[email protected]
CAS 3735-97-5 4-nitrophenyl 2-propylmethylphosphonate molecular structure lightbox
CAS RN: 3735-97-5

4-nitrophenyl 2-propylmethylphosphonate

  • Product code: SSC-144658
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 3735-97-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
0.25g >95% 5 In Stock Shanghai Inquiry
1g >95% 1 In Stock Shanghai Inquiry

3735-97-5 / 1-[methyl(propan-2-yloxy)phosphoryl]oxy-4-nitrobenzene

Standard CAS: 3735-97-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3735-97-5
Multi CAS
Yes
Molecular Formula
C10H14NO5P
Molecular Weight
259.200000
Exact Mass
259.060960
InChI
InChI=1S/C10H14NO5P/c1-8(2)15-17(3,14)16-10-6-4-9(5-7-10)11(12)13/h4-8H,1-3H3
InChIKey
YSHVIWJFWCEDSQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
63.48
TPSA
78.67

LogP / Solubility

WLOGP
3.22
MLOGP
2.84
XLogP3
1.9
Consensus LogP
2.65
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.62
Class (SILICOS-IT)
Slightly 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)
-2.01

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
2

Customers Also Viewed

Get In Touch

Contact Us