CAS 342813-26-7 “(11bS)-N,N-bis[(1S)-1-(1-naphthalenyl)ethyl]-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-amine” molecular structure

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CAS RN: 342813-26-7

“(11bS)-N,N-bis[(1S)-1-(1-naphthalenyl)ethyl]-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-amine”

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5 package records5 with current stock1 grade group

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Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20251118	100mg	In stock	Shanghai	Inquiry
Batchno.20250318	1g	In stock	Shanghai	Inquiry
Batchno.20250623	250mg	In stock	Shanghai	Inquiry
Batchno.20250419	25mg	In stock	Shanghai	Inquiry
Batchno.20251022	50mg	In stock	Shanghai	Inquiry

Product code: starshine_CAS342813-26-7
Purity/Analytical Methods: >99.0%

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342813-26-7 / N,N-bis[(1S)-1-naphthalen-1-ylethyl]-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-amine

Standard CAS: 342813-26-7 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

342813-26-7

Multi CAS

Yes

Molecular Formula

C44H34NO2P

Molecular Weight

639.700000

Exact Mass

639.232716

InChI

InChI=1S/C44H34NO2P/c1-29(35-23-11-17-31-13-3-7-19-37(31)35)45(30(2)36-24-12-18-32-14-4-8-20-38(32)36)48-46-41-27-25-33-15-5-9-21-39(33)43(41)44-40-22-10-6-16-34(40)26-28-42(44)47-48/h3-30H,1-2H3/t29-,30-/m0/s1

InChIKey

KEIZMADKDYGTFM-KYJUHHDHSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.09

Rotatable bonds

H-bond acceptors

Molar refractivity

204.28

TPSA

29.52

LogP / Solubility

WLOGP

13.36

MLOGP

11.81

XLogP3

12.4

Consensus LogP

12.52

Log S (ESOL)

-12.56

Class (ESOL)

Insoluble

Log S (Ali)

-14.45

Class (Ali)

Insoluble

Log S (SILICOS-IT)

-15.51

Class (SILICOS-IT)

Insoluble

ADME

GI absorption

Low

BBB permeant

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

Yes

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Yes

Log Kp (skin permeation)

2.87

Drug-likeness / Medicinal Chemistry

Lipinski

Ghose

Veber

Yes

Egan

Muegge

Bioavailability score

0.17

Leadlikeness

Synthetic Accessibility

“(11bS)-N,N-bis[(1S)-1-(1-naphthalenyl)ethyl]-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-amine”

Product Availability

342813-26-7 / N,N-bis[(1S)-1-naphthalen-1-ylethyl]-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-amine

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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