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CAS 1021439-60-0 (11bR)-8,9,10,11,12,13,14,15-octahydro-N,N-bis[(1S)-1-phenylethyl]-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-aMine molecular structure lightbox
CAS RN: 1021439-60-0

(11bR)-8,9,10,11,12,13,14,15-octahydro-N,N-bis[(1S)-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 stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260202 100mg In stock Shanghai Inquiry
Batchno.20251029 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20250819 1g Out of stock Inquiry
Batchno.20250201 250mg In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-003412
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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 1021439-60-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Hong Kong Inquiry

1021439-60-0 / N,N-bis(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

(11bS)-N,N-bis((S)-1-Phenylethyl)-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine | (11bS)-8,9,10,11,12,13,14,15-Octahydro-N,Nbis[(1R)-1-phenylethyl]dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine | N,N-bis[(1S)-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: 1021439-60-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1021439-60-0
Multi CAS
Yes
Molecular Formula
C36H38NO2P
Molecular Weight
547.700000
Exact Mass
547.264016
SMILES
CC(C1=CC=CC=C1)N(C(C)C2=CC=CC=C2)P3OC4=C(C5=C(CCCC5)C=C4)C6=C(O3)C=CC7=C6CCCC7
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
InChIKey
FGFFWGDLHSFEDX-UHFFFAOYSA-N
Synonyms
(11bS)-N,N-bis((S)-1-Phenylethyl)-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine (11bS)-8,9,10,11,12,13,14,15-Octahydro-N,Nbis[(1R)-1-phenylethyl]dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine N,N-bis[(1S)-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 (11bR)-N,N-Bis((S)-1-phenylethyl)-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]di-oxaphosphepin-4-amine N,N-bis((S)-1-phenylethyl)-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine

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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