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CAS 1429939-32-1 (+)-1,13-Bis[di(4-Methylphenyl)phosphino]-(5aR,8aR,14aR)-5a,6,7,8,8a,9-hexahydro-5H-[1]benzopyrano[3,2-d]xanthene molecular structure lightbox
CAS RN: 1429939-32-1

(+)-1,13-Bis[di(4-Methylphenyl)phosphino]-(5aR,8aR,14aR)-5a,6,7,8,8a,9-hexahydro-5H-[1]benzopyrano[3,2-d]xanthene

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250628 50mg / 100mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260203 100mg In stock Shanghai Inquiry
Batchno.20251215 250mg In stock Shanghai Inquiry
Batchno.20250513 50mg In stock Shanghai Inquiry
  • Product code: SSC-054307
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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: 0.1g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1429939-32-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 0 Out of Stock Shenzhen Inquiry

1429939-32-1 / [20-bis(4-methylphenyl)phosphanyl-2,22-dioxapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3(8),4,6,16(21),17,19-hexaen-4-yl]-bis(4-methylphenyl)phosphane

Standard CAS: 1429939-32-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1429939-32-1
Multi CAS
No
Molecular Formula
C48H46O2P2
Molecular Weight
716.800000
Exact Mass
716.297305
SMILES
CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=CC=CC4=C3OC56C(C4)CCCC5CC7=C(O6)C(=CC=C7)P(C8=CC=C(C=C8)C)C9=CC=C(C=C9)C
InChI
InChI=1S/C48H46O2P2/c1-32-14-22-40(23-15-32)51(41-24-16-33(2)17-25-41)44-12-5-8-36-30-38-10-7-11-39-31-37-9-6-13-45(47(37)50-48(38,39)49-46(36)44)52(42-26-18-34(3)19-27-42)43-28-20-35(4)21-29-43/h5-6,8-9,12-29,38-39H,7,10-11,30-31H2,1-4H3
InChIKey
QGOSBHUTQQGVPA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
52
Aromatic heavy atom count
36
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
221.47
TPSA
18.46

LogP / Solubility

WLOGP
9.12
MLOGP
8.09
XLogP3
12
Consensus LogP
9.74
Log S (ESOL)
-10.15
Class (ESOL)
Insoluble
Log S (Ali)
-12.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.61
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)
-0.62

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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