CAS RN: 323193-85-7
2,2′-((1R,2R)-1,2-CYCLOHEXANEDIYLBIS((E&
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250609 | 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS323193-85-7
- Purity/Analytical Methods: >99.0%
323193-85-7 / 4-tert-butyl-2-[[(1R,2R)-2-[[5-tert-butyl-2-hydroxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-(morpholin-4-ylmethyl)phenol
Basic Information
CAS
323193-85-7
Multi CAS
Yes
Molecular Formula
C38H56N4O4
Molecular Weight
632.900000
Exact Mass
632.430156
InChI
InChI=1S/C38H56N4O4/c1-37(2,3)31-19-27(35(43)29(21-31)25-41-11-15-45-16-12-41)23-39-33-9-7-8-10-34(33)40-24-28-20-32(38(4,5)6)22-30(36(28)44)26-42-13-17-46-18-14-42/h19-24,33-34,43-44H,7-18,25-26H2,1-6H3/t33-,34-/m1/s1
InChIKey
ZSDPYCVORQDIHQ-KKLWWLSJSA-N
Computed Properties
Structural Parameters
Heavy atom count
46
Aromatic heavy atom count
12
Fraction Csp3
0.63
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
2
Molar refractivity
187.04
TPSA
90.12
LogP / Solubility
WLOGP
6.21
MLOGP
5.51
XLogP3
5.6
Consensus LogP
5.77
Log S (ESOL)
-7.34
Class (ESOL)
Insoluble
Log S (Ali)
-9.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.89
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)
-2.17
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
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![CAS 323196-39-0 3-Cyclohexene-1-carboxylic acid, 6-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, (1R,6R)-rel- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB53356488(1).gif)
