CAS 139139-93-8 (S)-H8-BINAP molecular structure

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CAS RN: 139139-93-8

(S)-H8-BINAP

Product Availability

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5 package records2 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Warehouse	Lead Time	Inquiry
Batchno.20260210	100mg	In stock	Shanghai		Inquiry
Batchno.20250327	1g	Out of stock			Inquiry
Batchno.20251223	250mg	Out of stock			Inquiry
Batchno.20250210	50mg / 250mg	Out of stock		5-7 business days	Inquiry
Batchno.20260210	5g	In stock	Chengdu		Inquiry

Product code: SSC-049443

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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 139139-93-8
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	95%+	0 Out of Stock	Beijing	Inquiry

139139-93-8 / [1-(2-diphenylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane

Standard CAS: 139139-93-8 Multi CAS: No

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

139139-93-8

Multi CAS

Molecular Formula

C44H40P2

Molecular Weight

630.700000

Exact Mass

630.260525

SMILES

C1CCC2=C(C1)C=CC(=C2C3=C(C=CC4=C3CCCC4)P(C5=CC=CC=C5)C6=CC=CC=C6)P(C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C44H40P2/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-12,19-26,29-32H,13-18,27-28H2

InChIKey

ANSOKCGDSQQISA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.18

Rotatable bonds

Molar refractivity

202.57

TPSA

0.0000

LogP / Solubility

WLOGP

8.63

MLOGP

7.64

XLogP3

11.7

Consensus LogP

9.32

Log S (ESOL)

-9.3

Class (ESOL)

Insoluble

Log S (Ali)

-10.96

Class (Ali)

Insoluble

Log S (SILICOS-IT)

-11.76

Class (SILICOS-IT)

Insoluble

ADME

GI absorption

Low

BBB permeant

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

Yes

CYP2D6 inhibitor

CYP3A4 inhibitor

Yes

Log Kp (skin permeation)

-0.44

Drug-likeness / Medicinal Chemistry

Lipinski

Ghose

Veber

Yes

Egan

Muegge

Bioavailability score

0.17

Brenk alerts

Leadlikeness

Synthetic Accessibility

6.5

Safety & Transport

Pictogram(s)

Irritant

Signal

Warning

GHS Hazard Statements

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statement Codes

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364