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CAS 185913-97-7 (R)-(+)-5,5′-DICHLORO-6,6′-DIMETHOXY-2,2′-BIS(DIPHENYLPHOSPHINO)-1,1′-BIPHENYL molecular structure lightbox
CAS RN: 185913-97-7

(R)-(+)-5,5′-DICHLORO-6,6′-DIMETHOXY-2,2′-BIS(DIPHENYLPHOSPHINO)-1,1′-BIPHENYL

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260323 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250216 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260507 1g In stock Shanghai Inquiry
Batchno.20250115 250mg In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-086094
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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: ＞97%
  • 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 185913-97-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

185913-97-7 / [4-chloro-2-(3-chloro-6-diphenylphosphanyl-2-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane

Standard CAS: 185913-97-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
185913-97-7
Multi CAS
No
Molecular Formula
C38H30Cl2O2P2
Molecular Weight
651.500000
Exact Mass
650.109810
SMILES
COC1=C(C=CC(=C1C2=C(C=CC(=C2OC)Cl)P(C3=CC=CC=C3)C4=CC=CC=C4)P(C5=CC=CC=C5)C6=CC=CC=C6)Cl
InChI
InChI=1S/C38H30Cl2O2P2/c1-41-37-31(39)23-25-33(43(27-15-7-3-8-16-27)28-17-9-4-10-18-28)35(37)36-34(26-24-32(40)38(36)42-2)44(29-19-11-5-12-20-29)30-21-13-6-14-22-30/h3-26H,1-2H3
InChIKey
GCBRCSSVOVNEIX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
36
Fraction Csp3
0.05
Rotatable bonds
9
H-bond acceptors
2
Molar refractivity
192.41
TPSA
18.46

LogP / Solubility

WLOGP
8.19
MLOGP
7.26
XLogP3
10.1
Consensus LogP
8.52
Log S (ESOL)
-9.05
Class (ESOL)
Insoluble
Log S (Ali)
-10.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.78
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)
-0.88

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
5.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 37 of 38 companies (only 2.6% companies provided GHS information). For more detailed information, please visit ECHA C&L website. 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]
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

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