[email protected]
CAS 852948-13-1 Intermediate molecular structure lightbox
CAS RN: 852948-13-1

Intermediate

Product Availability

Choose a grade to view its available package options.

5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251015 100mg Out of stock Inquiry
Batchno.20250607 10mg In stock Shanghai Inquiry
Batchno.20250908 25mg In stock Shanghai Inquiry
Batchno.20260101 50mg Out of stock Inquiry
Batchno.20260510 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS852948-13-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

852948-13-1 / 4-[[4-[[(4S)-4-(3-chlorophenyl)-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol

Standard CAS: 852948-13-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
852948-13-1
Multi CAS
Yes
Molecular Formula
C28H32CLO5P
Molecular Weight
515.000000
Exact Mass
514.167589
InChI
InChI=1S/C28H32ClO5P/c1-18(2)25-14-21(8-9-27(25)30)15-26-19(3)12-24(13-20(26)4)32-17-35(31)33-11-10-28(34-35)22-6-5-7-23(29)16-22/h5-9,12-14,16,18,28,30H,10-11,15,17H2,1-4H3/t28-,35?/m0/s1
InChIKey
LGGPZDRLTDGYSQ-GYKKGXIBSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
18
Fraction Csp3
0.36
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
1
Molar refractivity
139.87
TPSA
64.99

LogP / Solubility

WLOGP
8.08
MLOGP
7.15
XLogP3
6.9
Consensus LogP
7.38
Log S (ESOL)
-8.04
Class (ESOL)
Insoluble
Log S (Ali)
-9.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.56
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.12

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

Customers Also Viewed

Get In Touch

Contact Us