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CAS 864529-90-8 1-((11bR)-2,6-dimethyldinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-yl)piperidine molecular structure lightbox
CAS RN: 864529-90-8

1-((11bR)-2,6-dimethyldinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-yl)piperidine

Product Availability

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260201 100mg In stock Shanghai Inquiry
Batchno.20250611 1g Out of stock Inquiry
Batchno.20250717 250mg In stock Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250209 50mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-195517
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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: 0.25g
  • 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 864529-90-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shanghai Inquiry

864529-90-8 / 1-(10,16-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)piperidine

Standard CAS: 864529-90-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
864529-90-8
Multi CAS
Yes
Molecular Formula
C27H26NO2P
Molecular Weight
427.500000
Exact Mass
427.170116
InChI
InChI=1S/C27H26NO2P/c1-18-16-20-10-4-6-12-22(20)24-25-23-13-7-5-11-21(23)17-19(2)27(25)30-31(29-26(18)24)28-14-8-3-9-15-28/h4-7,10-13,16-17H,3,8-9,14-15H2,1-2H3
InChIKey
YWLLJBRYLCKAGW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
23
Fraction Csp3
0.26
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
132.61
TPSA
29.52

LogP / Solubility

WLOGP
8.34
MLOGP
7.36
XLogP3
7.7
Consensus LogP
7.8
Log S (ESOL)
-8.22
Class (ESOL)
Insoluble
Log S (Ali)
-9.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.48
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)
0.59

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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