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CAS 97858-62-3 (S,S)-1,2-Bis[(2-methoxyphenyl)phenylphosphino]ethane molecular structure lightbox
CAS RN: 97858-62-3

(S,S)-1,2-Bis[(2-methoxyphenyl)phenylphosphino]ethane

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6 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260530 100mg Out of stock Inquiry
Batchno.20260515 100mg In stock Shanghai, Shandong Inquiry
Batchno.20260103 1g Out of stock Inquiry
Batchno.20250319 250mg Out of stock Inquiry
Batchno.20260425 25mg In stock Shanghai, Chongqing Inquiry
Batchno.20260304 50mg Out of stock Inquiry
  • Product code: ICTB3036
  • Purity/Analytical Methods: >97.0%(GC)(T)
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97858-62-3 / (2-methoxyphenyl)-[2-[(2-methoxyphenyl)-phenylphosphanyl]ethyl]-phenylphosphane

Standard CAS: 97858-62-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
97858-62-3
Multi CAS
Yes
Molecular Formula
C28H28O2P2
Molecular Weight
458.500000
Exact Mass
458.156454
InChI
InChI=1S/C28H28O2P2/c1-29-25-17-9-11-19-27(25)31(23-13-5-3-6-14-23)21-22-32(24-15-7-4-8-16-24)28-20-12-10-18-26(28)30-2/h3-20H,21-22H2,1-2H3
InChIKey
QKZWXPLBVCKXNQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
24
Fraction Csp3
0.14
Rotatable bonds
9
H-bond acceptors
2
Molar refractivity
140.98
TPSA
18.46

LogP / Solubility

WLOGP
5.27
MLOGP
4.67
XLogP3
5.8
Consensus LogP
5.25
Log S (ESOL)
-5.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.09
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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