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CAS 1448722-98-2 (R)-(+)-2,2′-Bis[di(3,5-dimethoxyphenyl)phosphino]-6,6′-dimethoxy-1,1′-biphenyl molecular structure lightbox
CAS RN: 1448722-98-2

(R)-(+)-2,2′-Bis[di(3,5-dimethoxyphenyl)phosphino]-6,6′-dimethoxy-1,1′-biphenyl

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251219 100mg In stock Shanghai Inquiry
Batchno.20250715 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20250724 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250615 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260601 5g Out of stock Inquiry
  • Product code: starshine_CAS1448722-98-2
  • Purity/Analytical Methods: >99.0%
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1448722-98-2 / [2-[2-bis(3,5-dimethoxyphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-bis(3,5-dimethoxyphenyl)phosphane

Standard CAS: 1448722-98-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1448722-98-2
Multi CAS
No
Molecular Formula
C46H48O10P2
Molecular Weight
822.800000
Exact Mass
822.272272
SMILES
COC1=C(C(=CC=C1)P(C2=CC(=CC(=C2)OC)OC)C3=CC(=CC(=C3)OC)OC)C4=C(C=CC=C4P(C5=CC(=CC(=C5)OC)OC)C6=CC(=CC(=C6)OC)OC)OC
InChI
InChI=1S/C46H48O10P2/c1-47-29-17-30(48-2)22-37(21-29)57(38-23-31(49-3)18-32(24-38)50-4)43-15-11-13-41(55-9)45(43)46-42(56-10)14-12-16-44(46)58(39-25-33(51-5)19-34(26-39)52-6)40-27-35(53-7)20-36(28-40)54-8/h11-28H,1-10H3
InChIKey
SWMJWTAAPZTGDO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
58
Aromatic heavy atom count
36
Fraction Csp3
0.22
Rotatable bonds
17
H-bond acceptors
10
Molar refractivity
234.81
TPSA
92.3

LogP / Solubility

WLOGP
6.96
MLOGP
6.2
XLogP3
8.6
Consensus LogP
7.25
Log S (ESOL)
-8.66
Class (ESOL)
Insoluble
Log S (Ali)
-11.33
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.82
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.8

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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