![CAS 1439556-82-7 (-)-1,13-Bis(diphenyl)phosphino-(5aS,8aS,14aS)-5a,6,7,8,8a,9-hexahydro-5H-[1]benzopyrano [3,2-d]xanthene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1439556-82-7.gif)
CAS RN: 1439556-82-7
(-)-1,13-Bis(diphenyl)phosphino-(5aS,8aS,14aS)-5a,6,7,8,8a,9-hexahydro-5H-[1]benzopyrano [3,2-d]xanthene
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-055209
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1439556-82-7 / [(10S,14S)-20-diphenylphosphanyl-2,22-dioxapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3(8),4,6,16(21),17,19-hexaen-4-yl]-diphenylphosphane
Basic Information
CAS
1439556-82-7
Multi CAS
No
Molecular Formula
C44H38O2P2
Molecular Weight
660.700000
Exact Mass
660.234704
SMILES
C1C[C@H]2CC3=C(C(=CC=C3)P(C4=CC=CC=C4)C5=CC=CC=C5)OC26[C@@H](C1)CC7=C(O6)C(=CC=C7)P(C8=CC=CC=C8)C9=CC=CC=C9
InChI
InChI=1S/C44H38O2P2/c1-5-20-36(21-6-1)47(37-22-7-2-8-23-37)40-28-13-16-32-30-34-18-15-19-35-31-33-17-14-29-41(43(33)46-44(34,35)45-42(32)40)48(38-24-9-3-10-25-38)39-26-11-4-12-27-39/h1-14,16-17,20-29,34-35H,15,18-19,30-31H2/t34-,35-,44?/m0/s1
InChIKey
RXNGOILZLRYHEN-CIKQOIAFSA-N
Computed Properties
Structural Parameters
Heavy atom count
48
Aromatic heavy atom count
36
Fraction Csp3
0.18
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
202.52
TPSA
18.46
LogP / Solubility
WLOGP
7.89
MLOGP
6.99
XLogP3
10.5
Consensus LogP
8.46
Log S (ESOL)
-9.06
Class (ESOL)
Insoluble
Log S (Ali)
-10.67
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.22
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)
-1.15
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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