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CAS 500997-66-0 (R)-N,N-diethyl-4,5,6,7-tetrahydrodiindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin-12-amine, 98%，ee99% molecular structure lightbox
CAS RN: 500997-66-0

(R)-N,N-diethyl-4,5,6,7-tetrahydrodiindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin-12-amine, 98%，ee99%

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251113 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20250131 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260113 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260320 5g Out of stock Inquiry
  • Product code: SSC-156472
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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 500997-66-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

500997-66-0 / N,N-diethyl-4,5,6,7-tetrahydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocin-12-amine

Standard CAS: 500997-66-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
500997-66-0
Multi CAS
Yes
Molecular Formula
C21H24NO2P
Molecular Weight
353.400000
Exact Mass
353.154466
InChI
InChI=1S/C21H24NO2P/c1-3-22(4-2)25-23-17-9-5-7-15-11-13-21(19(15)17)14-12-16-8-6-10-18(24-25)20(16)21/h5-10H,3-4,11-14H2,1-2H3
InChIKey
JUABZMOAYAHVTB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
101.4
TPSA
21.7

LogP / Solubility

WLOGP
5.21
MLOGP
4.6
XLogP3
5.6
Consensus LogP
5.14
Log S (ESOL)
-5.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.64
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-1.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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