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CAS 913617-04-6 (11BR)-2,6-BIS(DIPHENYLPHOSPHINO)-N,N-DIMETHYLDINAPHTHO(2,1-D:1′,2′-F)-1,3,2-DIOXAPHOSPHEPIN-4-AMINE, KANATA PURITY molecular structure lightbox
CAS RN: 913617-04-6

(11BR)-2,6-BIS(DIPHENYLPHOSPHINO)-N,N-DIMETHYLDINAPHTHO(2,1-D:1′,2′-F)-1,3,2-DIOXAPHOSPHEPIN-4-AMINE, KANATA PURITY

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250714 100mg In stock Shanghai Inquiry
Batchno.20260123 1g Out of stock Inquiry
Batchno.20260615 250mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250216 50mg In stock Shanghai Inquiry
Batchno.20260428 50mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS913617-04-6
  • Purity/Analytical Methods: >99.0%
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913617-04-6 / 10,16-bis(diphenylphosphanyl)-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine

Standard CAS: 913617-04-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
913617-04-6
Multi CAS
Yes
Molecular Formula
C46H36NO2P3
Molecular Weight
727.700000
Exact Mass
727.195890
InChI
InChI=1S/C46H36NO2P3/c1-47(2)52-48-45-41(50(35-21-7-3-8-22-35)36-23-9-4-10-24-36)31-33-19-15-17-29-39(33)43(45)44-40-30-18-16-20-34(40)32-42(46(44)49-52)51(37-25-11-5-12-26-37)38-27-13-6-14-28-38/h3-32H,1-2H3
InChIKey
JVTXDRKUFXCFCF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
52
Aromatic heavy atom count
47
Fraction Csp3
0.04
Rotatable bonds
7
H-bond acceptors
3
Molar refractivity
228.81
TPSA
29.52

LogP / Solubility

WLOGP
10.31
MLOGP
9.14
XLogP3
11.5
Consensus LogP
10.32
Log S (ESOL)
-11.05
Class (ESOL)
Insoluble
Log S (Ali)
-12.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.79
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.16

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
7

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