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CAS 1352810-38-8 (11aR)-3,7-Bis([1,1′:3′,1”-terphenyl]-5′-yl)-10,11,12,13-tetrahydro-5-hydroxy-5-oxide-diindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin molecular structure lightbox
CAS RN: 1352810-38-8

(11aR)-3,7-Bis([1,1′:3′,1”-terphenyl]-5′-yl)-10,11,12,13-tetrahydro-5-hydroxy-5-oxide-diindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251103 100mg In stock Shanghai Inquiry
Batchno.20250517 1g In stock Shanghai Inquiry
Batchno.20250911 250mg In stock Shanghai Inquiry
Batchno.20260202 50mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250917 5g Out of stock Inquiry
  • Product code: starshine_CAS1352810-38-8
  • Purity/Analytical Methods: >99.0%
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1352810-38-8 / 1,10-bis(3,5-diphenylphenyl)-12-hydroxy-4,5,6,7-tetrahydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine 12-oxide

Standard CAS: 1352810-38-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1352810-38-8
Multi CAS
No
Molecular Formula
C53H39O4P
Molecular Weight
770.800000
Exact Mass
770.258597
SMILES
C1CC23CCC4=C2C(=C(C=C4)C5=CC(=CC(=C5)C6=CC=CC=C6)C7=CC=CC=C7)OP(=O)(OC8=C(C=CC1=C38)C9=CC(=CC(=C9)C1=CC=CC=C1)C1=CC=CC=C1)O
InChI
InChI=1S/C53H39O4P/c54-58(55)56-51-47(45-31-41(35-13-5-1-6-14-35)29-42(32-45)36-15-7-2-8-16-36)23-21-39-25-27-53(49(39)51)28-26-40-22-24-48(52(57-58)50(40)53)46-33-43(37-17-9-3-10-18-37)30-44(34-46)38-19-11-4-12-20-38/h1-24,29-34H,25-28H2,(H,54,55)
InChIKey
FHGPRGRDAJOEBL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
58
Aromatic heavy atom count
48
Fraction Csp3
0.09
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
234
TPSA
55.76

LogP / Solubility

WLOGP
13.74
MLOGP
12.16
XLogP3
13.3
Consensus LogP
13.07
Log S (ESOL)
-13.49
Class (ESOL)
Insoluble
Log S (Ali)
-15.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.79
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)
2.33

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
9

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