[email protected]
CAS 871658-67-2 Co-MOF-74 molecular structure lightbox
CAS RN: 871658-67-2

Co-MOF-74

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250227 100mg In stock Shanghai Inquiry
Batchno.20260701 1g In stock Shanghai Inquiry
Batchno.20250320 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS871658-67-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

871658-67-2 / Co-MOF-74

Standard CAS: 871658-67-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
871658-67-2
Multi CAS
Yes
Molecular Formula
C60H42N4O2Zn
Molecular Weight
916.400000
Exact Mass
914.259918
InChI
InChI=1S/C60H42N4O2.Zn/c1-31-27-33(3)51(34(4)28-31)55-43-19-23-47(61-43)59(41-17-9-13-37-11-7-15-39(53(37)41)57(59)65)49-25-21-45(63-49)56(52-35(5)29-32(2)30-36(52)6)46-22-26-50(64-46)60(48-24-20-44(55)62-48)42-18-10-14-38-12-8-16-40(54(38)42)58(60)66;/h7-30H,1-6H3;/q-2;+2
InChIKey
DDKHRXCKUFZBNG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
67
Aromatic heavy atom count
42
Fraction Csp3
0.13
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
264.14
TPSA
87.06

LogP / Solubility

WLOGP
11.97
MLOGP
10.62
XLogP3
11.97
Consensus LogP
11.52
Log S (ESOL)
-13.4
Class (ESOL)
Insoluble
Log S (Ali)
-15.72
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.8
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.19

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
10

Customers Also Viewed

Get In Touch

Contact Us