![CAS 740816-86-8 Benzamide, N-[(9S,10R,11R,13R)-2,3,10,11,12,13-hexahydro-10-hydroxy-9-methyl-1-oxo-9,13-epoxy-1H,9H-diindolo[1,2,3-gh:3′,2′,1′-lm]pyrrolo[3,4-j][1,7]benzodiazonin-11-yl]-N-methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/740816-86-8.gif)
CAS RN: 740816-86-8
Benzamide, N-[(9S,10R,11R,13R)-2,3,10,11,12,13-hexahydro-10-hydroxy-9-methyl-1-oxo-9,13-epoxy-1H,9H-diindolo[1,2,3-gh:3′,2′,1′-lm]pyrrolo[3,4-j][1,7]benzodiazonin-11-yl]-N-methyl-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250213 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS740816-86-8
- Purity/Analytical Methods: >99.0%
740816-86-8 / N-[(2S,3R,4R,6R)-3-hydroxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N-methylbenzamide
Basic Information
CAS
740816-86-8
Multi CAS
Yes
Molecular Formula
C34H28N4O4
Molecular Weight
556.600000
Exact Mass
556.211055
InChI
InChI=1S/C34H28N4O4/c1-34-31(39)24(36(2)33(41)18-10-4-3-5-11-18)16-25(42-34)37-22-14-8-6-12-19(22)27-28-21(17-35-32(28)40)26-20-13-7-9-15-23(20)38(34)30(26)29(27)37/h3-15,24-25,31,39H,16-17H2,1-2H3,(H,35,40)/t24-,25-,31-,34+/m1/s1
InChIKey
PXOCRDZEEXVZQC-AFUPZKSLSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
26
Fraction Csp3
0.24
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
160.33
TPSA
88.73
LogP / Solubility
WLOGP
5.25
MLOGP
4.67
XLogP3
4.3
Consensus LogP
4.74
Log S (ESOL)
-6.93
Class (ESOL)
Insoluble
Log S (Ali)
-7.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.88
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-2.39
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
10
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