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CAS 479413-76-8 (11bS)-8,9,10,11,12,13,14,15-octahydro-N,N-bis[(1R)-1-phenylethyl]-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-aMine molecular structure lightbox
CAS RN: 479413-76-8

(11bS)-8,9,10,11,12,13,14,15-octahydro-N,N-bis[(1R)-1-phenylethyl]-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-aMine

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 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260327 100mg In stock Shanghai Inquiry
Batchno.20260411 1g Out of stock Inquiry
Batchno.20250606 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: SSC-154929
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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: ≥95%
  • 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 479413-76-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

479413-76-8 / N,N-bis[(1R)-1-phenylethyl]-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: 479413-76-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
479413-76-8
Multi CAS
Yes
Molecular Formula
C36H38NO2P
Molecular Weight
547.700000
Exact Mass
547.264016
InChI
InChI=1S/C36H38NO2P/c1-25(27-13-5-3-6-14-27)37(26(2)28-15-7-4-8-16-28)40-38-33-23-21-29-17-9-11-19-31(29)35(33)36-32-20-12-10-18-30(32)22-24-34(36)39-40/h3-8,13-16,21-26H,9-12,17-20H2,1-2H3/t25-,26-/m1/s1
InChIKey
FGFFWGDLHSFEDX-CLJLJLNGSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
27
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
167.54
TPSA
29.52

LogP / Solubility

WLOGP
10.51
MLOGP
9.29
XLogP3
10.1
Consensus LogP
9.97
Log S (ESOL)
-10.03
Class (ESOL)
Insoluble
Log S (Ali)
-11.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.54
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.4

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7

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