![CAS 1365267-36-2 1,2-BenzenedicarboxaMide, N1,N2-bis[[(5S)-2-oxo-3-[4-(3-oxo-4-Morpholinyl)phenyl]-5-oxazolidinyl]Methyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1365267-36-2.gif)
CAS RN: 1365267-36-2
1,2-BenzenedicarboxaMide, N1,N2-bis[[(5S)-2-oxo-3-[4-(3-oxo-4-Morpholinyl)phenyl]-5-oxazolidinyl]Methyl]-
- Product code: SSC-045532
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1365267-36-2 / 1-N,2-N-bis[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzene-1,2-dicarboxamide
Basic Information
CAS
1365267-36-2
Multi CAS
No
Molecular Formula
C36H36N6O10
Molecular Weight
712.700000
Exact Mass
712.249291
SMILES
C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C4=CC=CC=C4C(=O)NC[C@H]5CN(C(=O)O5)C6=CC=C(C=C6)N7CCOCC7=O
InChI
InChI=1S/C36H36N6O10/c43-31-21-49-15-13-39(31)23-5-9-25(10-6-23)41-19-27(51-35(41)47)17-37-33(45)29-3-1-2-4-30(29)34(46)38-18-28-20-42(36(48)52-28)26-11-7-24(8-12-26)40-14-16-50-22-32(40)44/h1-12,27-28H,13-22H2,(H,37,45)(H,38,46)/t27-,28-/m0/s1
InChIKey
YIDJJGFGEMPGOA-NSOVKSMOSA-N
Computed Properties
Structural Parameters
Heavy atom count
52
Aromatic heavy atom count
18
Fraction Csp3
0.33
Rotatable bonds
10
H-bond acceptors
10
H-bond donors
2
Molar refractivity
185.57
TPSA
176.36
LogP / Solubility
WLOGP
1.92
MLOGP
1.75
XLogP3
1.1
Consensus LogP
1.59
Log S (ESOL)
-5.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.09
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7
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