![CAS 915038-16-3 R-4-oxide-2,6-bis(4-chlorophenyl)-8,9,10,11,12,13,14,15-octahydro-4-hydroxy-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/915038-16-3.gif)
CAS RN: 915038-16-3
R-4-oxide-2,6-bis(4-chlorophenyl)-8,9,10,11,12,13,14,15-octahydro-4-hydroxy-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: starshine_CAS915038-16-3
- Purity/Analytical Methods: >99.0%
915038-16-3 / 10,16-bis(4-chlorophenyl)-13-hydroxy-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaene 13-oxide
Basic Information
CAS
915038-16-3
Multi CAS
No
Molecular Formula
C32H27CL2O4P
Molecular Weight
577.400000
Exact Mass
576.102402
InChI
InChI=1S/C32H27Cl2O4P/c33-23-13-9-19(10-14-23)27-17-21-5-1-3-7-25(21)29-30-26-8-4-2-6-22(26)18-28(20-11-15-24(34)16-12-20)32(30)38-39(35,36)37-31(27)29/h9-18H,1-8H2,(H,35,36)
InChIKey
DJPWUKWCNZTULV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
24
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
157.14
TPSA
55.76
LogP / Solubility
WLOGP
9.62
MLOGP
8.51
XLogP3
9.6
Consensus LogP
9.24
Log S (ESOL)
-9.81
Class (ESOL)
Insoluble
Log S (Ali)
-11.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.64
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)
0.59
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
6
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