![CAS 923591-06-4 Methyl(1R,21S,24S)-21-tert–butyl-16,16-dimethyl-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatetracyclo[21.2.1.1^4,7.0.^6,11]]heptacosa-6,8,10-triene-24-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/923591-06-4.gif)
CAS RN: 923591-06-4
Methyl(1R,21S,24S)-21-tert–butyl-16,16-dimethyl-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatetracyclo[21.2.1.1^4,7.0.^6,11]]heptacosa-6,8,10-triene-24-carboxylate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250609 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS923591-06-4
- Purity/Analytical Methods: >99.0%
923591-06-4 / methyl (1R,21S,24S)-21-tert-butyl-16,16-dimethyl-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatetracyclo[21.2.1.14,7.06,11]heptacosa-6(11),7,9-triene-24-carboxylate
Basic Information
CAS
923591-06-4
Multi CAS
No
Molecular Formula
C30H43N3O7
Molecular Weight
557.700000
Exact Mass
557.310101
InChI
InChI=1S/C30H43N3O7/c1-29(2,3)24-25(34)33-16-21(14-23(33)26(35)38-6)40-28(37)32-15-20-12-9-11-19(22(20)17-32)10-7-8-13-30(4,5)18-39-27(36)31-24/h9,11-12,21,23-24H,7-8,10,13-18H2,1-6H3,(H,31,36)/t21-,23+,24-/m1/s1
InChIKey
DJKSNZHYAXNOAC-YFNKSVMNSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
7
H-bond donors
1
Molar refractivity
147.15
TPSA
114.48
LogP / Solubility
WLOGP
4.17
MLOGP
3.72
XLogP3
5
Consensus LogP
4.3
Log S (ESOL)
-5.97
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.87
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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