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CAS 1221902-03-9 1-((11bR)-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-yl)piperidine molecular structure lightbox
CAS RN: 1221902-03-9

1-((11bR)-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-yl)piperidine

Product Availability

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4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260112 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260317 100mg In stock Shanghai Inquiry
Batchno.20251224 1g Out of stock Inquiry
Batchno.20250424 250mg In stock Shanghai Inquiry
  • Product code: SSC-025190
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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: 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 1221902-03-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1221902-03-9 / 1-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),9,16,18(23)-hexaen-13-yl)piperidine

Standard CAS: 1221902-03-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1221902-03-9
Multi CAS
No
Molecular Formula
C25H30NO2P
Molecular Weight
407.500000
Exact Mass
407.201416
SMILES
C1CCN(CC1)P2OC3=C(C4=C(CCCC4)C=C3)C5=C(O2)C=CC6=C5CCCC6
InChI
InChI=1S/C25H30NO2P/c1-6-16-26(17-7-1)29-27-22-14-12-18-8-2-4-10-20(18)24(22)25-21-11-5-3-9-19(21)13-15-23(25)28-29/h12-15H,1-11,16-17H2
InChIKey
QVDNEBLZNKUPFA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
15
Fraction Csp3
0.52
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
121.41
TPSA
29.52

LogP / Solubility

WLOGP
7.17
MLOGP
6.33
XLogP3
7.2
Consensus LogP
6.9
Log S (ESOL)
-7.2
Class (ESOL)
Insoluble
Log S (Ali)
-8.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.38
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.12

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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