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CAS 137769-30-3 (S)-(+)-(diphenylphosphino)-2`-isopropoxy-1,1`-binaphthyl molecular structure lightbox
CAS RN: 137769-30-3

(S)-(+)-(diphenylphosphino)-2`-isopropoxy-1,1`-binaphthyl

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260408 100mg In stock Shanghai Inquiry
Batchno.20250812 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20260210 1g Out of stock Inquiry
Batchno.20251005 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: starshine_CAS137769-30-3
  • Purity/Analytical Methods: >99.0%
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137769-30-3 / diphenyl-[1-(2-propan-2-yloxynaphthalen-1-yl)naphthalen-2-yl]phosphane

Standard CAS: 137769-30-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
137769-30-3
Multi CAS
No
Molecular Formula
C35H29OP
Molecular Weight
496.600000
Exact Mass
496.195603
SMILES
CC(C)OC1=C(C2=CC=CC=C2C=C1)C3=C(C=CC4=CC=CC=C43)P(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C35H29OP/c1-25(2)36-32-23-21-26-13-9-11-19-30(26)34(32)35-31-20-12-10-14-27(31)22-24-33(35)37(28-15-5-3-6-16-28)29-17-7-4-8-18-29/h3-25H,1-2H3
InChIKey
RQYTYDOSGVUKHB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
32
Fraction Csp3
0.09
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
161.36
TPSA
9.23

LogP / Solubility

WLOGP
8.21
MLOGP
7.26
XLogP3
9.5
Consensus LogP
8.32
Log S (ESOL)
-8.33
Class (ESOL)
Insoluble
Log S (Ali)
-9.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.42
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)
0.08

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
5.5

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