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CAS 188055-47-2 R-4-phenoxy-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin molecular structure lightbox
CAS RN: 188055-47-2

R-4-phenoxy-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260418 100mg In stock Shanghai Inquiry
Batchno.20260530 1g In stock Shanghai Inquiry
Batchno.20260609 250mg In stock Shanghai Inquiry
Batchno.20260302 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS188055-47-2
  • Purity/Analytical Methods: >99.0%
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188055-47-2 / 13-phenoxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene

Standard CAS: 188055-47-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
188055-47-2
Multi CAS
No
Molecular Formula
C26H17O3P
Molecular Weight
408.400000
Exact Mass
408.091531
SMILES
C1=CC=C(C=C1)OP2OC3=C(C4=CC=CC=C4C=C3)C5=C(O2)C=CC6=CC=CC=C65
InChI
InChI=1S/C26H17O3P/c1-2-10-20(11-3-1)27-30-28-23-16-14-18-8-4-6-12-21(18)25(23)26-22-13-7-5-9-19(22)15-17-24(26)29-30/h1-17H
InChIKey
MUPVYVGOFQFGPL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
29
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
123.8
TPSA
35.51

LogP / Solubility

WLOGP
8.44
MLOGP
7.45
XLogP3
7.7
Consensus LogP
7.86
Log S (ESOL)
-8.27
Class (ESOL)
Insoluble
Log S (Ali)
-9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.56
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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