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CAS 677736-23-1 CHLORODICARBONYL(1,2,3,4,5-PENTAPHENYLC& molecular structure lightbox
CAS RN: 677736-23-1

CHLORODICARBONYL(1,2,3,4,5-PENTAPHENYLC&

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250729 100mg In stock Shanghai, Chengdu Inquiry
Batchno.20251029 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250809 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260526 5g In stock Shenzhen, Tianjin Inquiry
  • Product code: starshine_CAS677736-23-1
  • Purity/Analytical Methods: >99.0%
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677736-23-1 / carbon monoxide;chlororuthenium(1+);(2,3,4,5-tetraphenylcyclopenta-1,4-dien-1-yl)benzene

Standard CAS: 677736-23-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
677736-23-1
Multi CAS
Yes
Molecular Formula
C37H25CLO2RU
Molecular Weight
638.100000
Exact Mass
638.058648
InChI
InChI=1S/C35H25.2CO.ClH.Ru/c1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)35(30-24-14-5-15-25-30)33(31)28-20-10-3-11-21-28;2*1-2;;/h1-25H;;;1H;/q-1;;;;+2/p-1
InChIKey
LXISPGKMYRYJGQ-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
35
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
162.93
TPSA
39.8

LogP / Solubility

WLOGP
10.35
MLOGP
9.16
XLogP3
10.35
Consensus LogP
9.95
Log S (ESOL)
-10.62
Class (ESOL)
Insoluble
Log S (Ali)
-12.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.74

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
5.5

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