![CAS 192755-52-5 (3S,11S)-N-[(2R,3S)-2-ethoxy-5-oxo-oxolan-3-yl]-3-(isoquinoline-1-carbonylamino)-2,6-dioxo-1,7-diazabicyclo[5.4.0]undecane-11-carboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/192755-52-5.gif)
CAS RN: 192755-52-5
(3S,11S)-N-[(2R,3S)-2-ethoxy-5-oxo-oxolan-3-yl]-3-(isoquinoline-1-carbonylamino)-2,6-dioxo-1,7-diazabicyclo[5.4.0]undecane-11-carboxamide
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.20250206 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS192755-52-5
- Purity/Analytical Methods: >99.0%
192755-52-5 / (4S,7S)-N-[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]-7-(isoquinoline-1-carbonylamino)-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide
Basic Information
CAS
192755-52-5
Multi CAS
No
Molecular Formula
C26H29N5O7
Molecular Weight
523.500000
Exact Mass
523.206698
SMILES
CCO[C@H]1[C@H](CC(=O)O1)NC(=O)[C@@H]2CCCN3N2C(=O)[C@H](CCC3=O)NC(=O)C4=NC=CC5=CC=CC=C54
InChI
InChI=1S/C26H29N5O7/c1-2-37-26-18(14-21(33)38-26)29-23(34)19-8-5-13-30-20(32)10-9-17(25(36)31(19)30)28-24(35)22-16-7-4-3-6-15(16)11-12-27-22/h3-4,6-7,11-12,17-19,26H,2,5,8-10,13-14H2,1H3,(H,28,35)(H,29,34)/t17-,18-,19-,26+/m0/s1
InChIKey
CXAGHAZMQSCAKJ-WAHHBDPQSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
10
Fraction Csp3
0.46
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
2
Molar refractivity
131.87
TPSA
147.24
LogP / Solubility
WLOGP
0.66
MLOGP
0.62
XLogP3
0.9
Consensus LogP
0.73
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.33
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7
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