CAS 712352-08-4 (+)-N,N-BIS[(1R)-1-PHENYLETHYL]-DINAPHTHO[2,1-D:1′,2′-F][1,3,2]DIOXAPHOSPHEPIN-4-AMINE, (11BR) molecular structure

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CAS RN: 712352-08-4

(+)-N,N-BIS[(1R)-1-PHENYLETHYL]-DINAPHTHO[2,1-D:1′,2′-F][1,3,2]DIOXAPHOSPHEPIN-4-AMINE, (11BR)

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4 package records3 with current stock1 grade group

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Batch No.	Package	Availability	Warehouse	Lead Time	Inquiry
Batchno.20250825	100mg	In stock	Shanghai		Inquiry
Batchno.20251018	100mg / 250mg / 1g	Out of stock		8-10 business days	Inquiry
Batchno.20250505	1g	In stock	Shanghai		Inquiry
Batchno.20250626	250mg	In stock	Shanghai		Inquiry

Product code: starshine_CAS712352-08-4
Purity/Analytical Methods: >99.0%

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712352-08-4 / 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),3,5,7,9,16,18,20,22-decaen-13-amine

Standard CAS: 712352-08-4 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

712352-08-4

Multi CAS

Yes

Molecular Formula

C36H30NO2P

Molecular Weight

539.600000

Exact Mass

539.201416

InChI

InChI=1S/C36H30NO2P/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/h3-26H,1-2H3/t25-,26-/m1/s1

InChIKey

LKZPDRCMCSBQFN-CLJLJLNGSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.11

Rotatable bonds

H-bond acceptors

Molar refractivity

169.26

TPSA

29.52

LogP / Solubility

WLOGP

11.06

MLOGP

9.77

XLogP3

9.9

Consensus LogP

10.24

Log S (ESOL)

-10.47

Class (ESOL)

Insoluble

Log S (Ali)

-11.97

Class (Ali)

Insoluble

Log S (SILICOS-IT)

-12.94

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)

1.84

Drug-likeness / Medicinal Chemistry

Lipinski

Ghose

Veber

Yes

Egan

Muegge

Bioavailability score

0.17

Leadlikeness

Synthetic Accessibility

(+)-N,N-BIS[(1R)-1-PHENYLETHYL]-DINAPHTHO[2,1-D:1′,2′-F][1,3,2]DIOXAPHOSPHEPIN-4-AMINE, (11BR)

Product Availability

712352-08-4 / 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),3,5,7,9,16,18,20,22-decaen-13-amine

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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