CAS RN: 100165-88-6

(S)-(-)-TolBINAP

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260331 10g In stock Shanghai Inquiry
Batchno.20260428 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260521 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260314 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
Batchno.20250927 25g In stock Shanghai, Tianjin Inquiry
Batchno.20250814 5g In stock Shanghai, Shenzhen, Chengdu Inquiry
  • Product code: SSC-000568
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Verified Factory Data

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Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g, 10g, 25g
  • Available purity: >98%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

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Recorded sizes, purity and stock details for CAS 100165-88-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >98% 1 In Stock Hong Kong Inquiry
1g >98% 1 In Stock Hong Kong Inquiry
5g >98% 1 In Stock Beijing Inquiry
10g >98% 1 In Stock Beijing Inquiry
25g >98% 0 Out of Stock Shenzhen Inquiry

100165-88-6 / [1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane

2,2'-Bis(di-p-tolylphosphino)-1,1'-binaphthyl | RefChem:407671 | (S)-(-)-2,2'-Bis(di-p-tolylphosphino)-1, 1'-binaphthyl

Standard CAS: 100165-88-6 Multi CAS: Yes

Basic Information

CAS
100165-88-6
Multi CAS
Yes
Molecular Formula
C48H40P2
Molecular Weight
678.800000
Exact Mass
678.260525
SMILES
CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=C(C=C7)C)C8=CC=C(C=C8)C
InChI
InChI=1S/C48H40P2/c1-33-13-23-39(24-14-33)49(40-25-15-34(2)16-26-40)45-31-21-37-9-5-7-11-43(37)47(45)48-44-12-8-6-10-38(44)22-32-46(48)50(41-27-17-35(3)18-28-41)42-29-19-36(4)20-30-42/h5-32H,1-4H3
InChIKey
IOPQYDKQISFMJI-UHFFFAOYSA-N
Synonyms
2,2'-Bis(di-p-tolylphosphino)-1,1'-binaphthyl RefChem:407671 (S)-(-)-2,2'-Bis(di-p-tolylphosphino)-1, 1'-binaphthyl 623-900-0 680-944-3

Computed Properties

Structural Parameters

Heavy atom count
50
Aromatic heavy atom count
44
Fraction Csp3
0.08
Rotatable bonds
7
Molar refractivity
223.25
TPSA
0.0000

LogP / Solubility

WLOGP
10.41
MLOGP
9.22
XLogP3
12.9
Consensus LogP
10.84
Log S (ESOL)
-10.8
Class (ESOL)
Insoluble
Log S (Ali)
-12.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.55
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.53

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

Safety & Transport

Pictogram(s)
Irritant Flammable
Signal
Warning Danger
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H228 (16.7%): Flammable solid [Danger Flammable solids] H252 (16.7%): Self-heating in large quantities; may catch fire [Warning Self-heating substances and mixtures]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 P210, P235, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, P407, P410, P413, P420, and P501

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