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CAS 208593-05-9 N,N-diisopropyl-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-amine molecular structure lightbox
CAS RN: 208593-05-9

N,N-diisopropyl-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-amine

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250315 100mg In stock Shanghai Inquiry
Batchno.20260408 1g In stock Shanghai Inquiry
Batchno.20251101 250mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250411 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-098037
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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: ≥98%
  • 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 208593-05-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Beijing Inquiry

208593-05-9 / N,N-di(propan-2-yl)-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-amine

Standard CAS: 208593-05-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
208593-05-9
Multi CAS
No
Molecular Formula
C26H34NO2P
Molecular Weight
423.500000
Exact Mass
423.232716
SMILES
CC(C)N(C(C)C)P1OC2=C(C3=C(CCCC3)C=C2)C4=C(O1)C=CC5=C4CCCC5
InChI
InChI=1S/C26H34NO2P/c1-17(2)27(18(3)4)30-28-23-15-13-19-9-5-7-11-21(19)25(23)26-22-12-8-6-10-20(22)14-16-24(26)29-30/h13-18H,5-12H2,1-4H3
InChIKey
LHKOTTBRSICARI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
15
Fraction Csp3
0.54
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
128.1
TPSA
29.52

LogP / Solubility

WLOGP
7.8
MLOGP
6.89
XLogP3
7.9
Consensus LogP
7.53
Log S (ESOL)
-7.55
Class (ESOL)
Insoluble
Log S (Ali)
-8.67
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.25
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)
0.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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