[email protected]
CAS 614750-85-5 Phosphonic acid, P-[(6-Methyl-2-pyridinyl)(phenylaMino)Methyl]-, diphenyl ester molecular structure lightbox
CAS RN: 614750-85-5

Phosphonic acid, P-[(6-Methyl-2-pyridinyl)(phenylaMino)Methyl]-, diphenyl ester

  • Product code: SSC-170370
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 614750-85-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

614750-85-5 / N-[diphenoxyphosphoryl-(6-methyl-2-pyridinyl)methyl]aniline

Standard CAS: 614750-85-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
614750-85-5
Multi CAS
No
Molecular Formula
C25H23N2O3P
Molecular Weight
430.400000
Exact Mass
430.144630
InChI
InChI=1S/C25H23N2O3P/c1-20-12-11-19-24(26-20)25(27-21-13-5-2-6-14-21)31(28,29-22-15-7-3-8-16-22)30-23-17-9-4-10-18-23/h2-19,25,27H,1H3
InChIKey
CXKJPVJQTPRXRT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
24
Fraction Csp3
0.08
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
1
Molar refractivity
123.53
TPSA
60.45

LogP / Solubility

WLOGP
6.85
MLOGP
6.06
XLogP3
5.8
Consensus LogP
6.24
Log S (ESOL)
-6.87
Class (ESOL)
Insoluble
Log S (Ali)
-8.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.1
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

Customers Also Viewed

Get In Touch

Contact Us