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CAS 284472-79-3 (S)-(+)-(3,5-Dioxa-4-phospha-cyclohepta[2,1-a molecular structure lightbox
CAS RN: 284472-79-3

(S)-(+)-(3,5-Dioxa-4-phospha-cyclohepta[2,1-a

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260501 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251027 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250603 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260225 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250621 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-129695
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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, 0.25g, 1g, 5g
  • 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 284472-79-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Beijing Inquiry
0.25g ＞97% 0 Out of Stock Shanghai Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

284472-79-3 / 1-(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: 284472-79-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
284472-79-3
Multi CAS
Yes
Molecular Formula
C25H22NO2P
Molecular Weight
399.400000
Exact Mass
399.138816
InChI
InChI=1S/C25H22NO2P/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/h2-5,8-15H,1,6-7,16-17H2
InChIKey
ZYDGLCZCEANEHK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
23
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
123.14
TPSA
29.52

LogP / Solubility

WLOGP
7.72
MLOGP
6.82
XLogP3
6.9
Consensus LogP
7.15
Log S (ESOL)
-7.7
Class (ESOL)
Insoluble
Log S (Ali)
-8.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.78
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)
0.32

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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