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CAS 70774-28-6 (1R,2R)-(-)-1,2-BIS(DIPHENYLPHOSPHINOMETHYL)CYCLOHEXANE molecular structure lightbox
CAS RN: 70774-28-6

(1R,2R)-(-)-1,2-BIS(DIPHENYLPHOSPHINOMETHYL)CYCLOHEXANE

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250917 100mg In stock Shenzhen Inquiry
Batchno.20250702 10mg / 50mg / 250mg Confirm by inquiry Shanghai Inquiry
Batchno.20250317 1g In stock Shenzhen Inquiry
Batchno.20250818 250mg In stock Shenzhen Inquiry
Batchno.20251202 50mg Out of stock Inquiry
  • Product code: starshine_CAS70774-28-6
  • Purity/Analytical Methods: >99.0%
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70774-28-6 / [2-(diphenylphosphanylmethyl)cyclohexyl]methyl-diphenylphosphane

Standard CAS: 70774-28-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
70774-28-6
Multi CAS
Yes
Molecular Formula
C32H34P2
Molecular Weight
480.600000
Exact Mass
480.213575
InChI
InChI=1S/C32H34P2/c1-5-17-29(18-6-1)33(30-19-7-2-8-20-30)25-27-15-13-14-16-28(27)26-34(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-12,17-24,27-28H,13-16,25-26H2/t27-,28-/m0/s1
InChIKey
UZHMFQJEUXFZSS-NSOVKSMOSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
24
Fraction Csp3
0.25
Rotatable bonds
8
Molar refractivity
153.33
TPSA
0.0000

LogP / Solubility

WLOGP
7.06
MLOGP
6.25
XLogP3
8
Consensus LogP
7.1
Log S (ESOL)
-7.26
Class (ESOL)
Insoluble
Log S (Ali)
-8.6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.6
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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