[email protected]
CAS 157141-27-0 Cyanomethylenetributylphosphorane molecular structure lightbox
CAS RN: 157141-27-0

Cyanomethylenetributylphosphorane

Product Availability

Choose a grade to view its available package options.

9 package records8 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250421 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shandong, Hebei, Shanghai 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260313 1g / 5g / 25g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260525 100g In stock Shanghai, Shenzhen Inquiry
Batchno.20250527 10g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250216 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250523 1kg In stock Shanghai Inquiry
Batchno.20260124 25g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260228 500g In stock Shanghai Inquiry
Batchno.20250715 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: ICTC1500
  • Purity/Analytical Methods: >97.0%(T)
GET A QUOTE

157141-27-0 / 2-(tributyl-lambda5-phosphanylidene)acetonitrile

Standard CAS: 157141-27-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
157141-27-0
Multi CAS
No
Molecular Formula
C14H28NP
Molecular Weight
241.350000
Exact Mass
241.195937
SMILES
CCCCP(=CC#N)(CCCC)CCCC
InChI
InChI=1S/C14H28NP/c1-4-7-11-16(14-10-15,12-8-5-2)13-9-6-3/h14H,4-9,11-13H2,1-3H3
InChIKey
OZMLUMPWPFZWTP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.86
Rotatable bonds
9
H-bond acceptors
1
Molar refractivity
77.92
TPSA
23.79

LogP / Solubility

WLOGP
4.73
MLOGP
4.17
XLogP3
2.9
Consensus LogP
3.93
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.23
Class (SILICOS-IT)
Insoluble

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)
-0.83

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

Safety & Transport

Pictogram(s)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301+H311 (20%): Toxic if swallowed or in contact with skin [Danger Acute toxicity, oral; acute toxicity, dermal] H301 (40%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (40%): Toxic in contact with skin [Danger Acute toxicity, dermal] H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us