![CAS 1496637-09-2 (S)-4-oxide-2,6-bisbis([1,1′:3′,1”-terphenyl]-5′-yl)-8,9,10,11,12,13,14,15-octahydro-4-hydroxydinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1496637-09-2.gif)
CAS RN: 1496637-09-2
(S)-4-oxide-2,6-bisbis([1,1′:3′,1”-terphenyl]-5′-yl)-8,9,10,11,12,13,14,15-octahydro-4-hydroxydinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251017 | 50mg / 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1496637-09-2
- Purity/Analytical Methods: >99.0%
1496637-09-2 / 10,16-bis(3,5-diphenylphenyl)-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
1496637-09-2
Multi CAS
No
Molecular Formula
C56H45O4P
Molecular Weight
812.900000
Exact Mass
812.305547
SMILES
C1CCC2=C3C4=C5CCCCC5=CC(=C4OP(=O)(OC3=C(C=C2C1)C6=CC(=CC(=C6)C7=CC=CC=C7)C8=CC=CC=C8)O)C9=CC(=CC(=C9)C1=CC=CC=C1)C1=CC=CC=C1
InChI
InChI=1S/C56H45O4P/c57-61(58)59-55-51(47-31-43(37-17-5-1-6-18-37)29-44(32-47)38-19-7-2-8-20-38)35-41-25-13-15-27-49(41)53(55)54-50-28-16-14-26-42(50)36-52(56(54)60-61)48-33-45(39-21-9-3-10-22-39)30-46(34-48)40-23-11-4-12-24-40/h1-12,17-24,29-36H,13-16,25-28H2,(H,57,58)
InChIKey
OCAULRBATWHQOB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
61
Aromatic heavy atom count
48
Fraction Csp3
0.14
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
248.86
TPSA
55.76
LogP / Solubility
WLOGP
14.98
MLOGP
13.26
XLogP3
14.8
Consensus LogP
14.35
Log S (ESOL)
-14.51
Class (ESOL)
Insoluble
Log S (Ali)
-17.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.1
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)
2.96
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
8
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