[email protected]
CAS 1017-60-3 DI-P-TOLYLPHOSPHINE molecular structure lightbox
CAS RN: 1017-60-3

DI-P-TOLYLPHOSPHINE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250606 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1017-60-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1017-60-3 / bis(4-methylphenyl)phosphane

Di-p-tolylphosphine | DTXSID30400514 | RefChem:336883

Standard CAS: 1017-60-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1017-60-3
Multi CAS
No
Molecular Formula
C14H15P
Molecular Weight
214.240000
Exact Mass
214.091137
SMILES
CC1=CC=C(C=C1)PC2=CC=C(C=C2)C
InChI
InChI=1S/C14H15P/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h3-10,15H,1-2H3
InChIKey
RRSCGNXXNRAXJC-UHFFFAOYSA-N
Synonyms
Di-p-tolylphosphine DTXSID30400514 RefChem:336883 DTXCID30351370 Bis(4-methylphenyl)phosphane

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
2
Molar refractivity
69.94
TPSA
0.0000

LogP / Solubility

WLOGP
2.93
MLOGP
2.58
XLogP3
3.8
Consensus LogP
3.1
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.94

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us