![CAS 1365267-35-1 Urea, N,N’-bis[[(5S)-2-oxo-3-[4-(3-oxo-4-Morpholinyl)phenyl]-5-oxazolidinyl]Methyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1365267-35-1.gif)
CAS RN: 1365267-35-1
Urea, N,N’-bis[[(5S)-2-oxo-3-[4-(3-oxo-4-Morpholinyl)phenyl]-5-oxazolidinyl]Methyl]-
- Product code: SSC-045531
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Beijing | Inquiry |
1365267-35-1 / 1,3-bis[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]urea
Basic Information
CAS
1365267-35-1
Multi CAS
No
Molecular Formula
C29H32N6O9
Molecular Weight
608.600000
Exact Mass
608.223077
SMILES
C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)NC[C@H]4CN(C(=O)O4)C5=CC=C(C=C5)N6CCOCC6=O
InChI
InChI=1S/C29H32N6O9/c36-25-17-41-11-9-32(25)19-1-5-21(6-2-19)34-15-23(43-28(34)39)13-30-27(38)31-14-24-16-35(29(40)44-24)22-7-3-20(4-8-22)33-10-12-42-18-26(33)37/h1-8,23-24H,9-18H2,(H2,30,31,38)/t23-,24-/m0/s1
InChIKey
RMYVVSKNFAMRGJ-ZEQRLZLVSA-N
Computed Properties
Structural Parameters
Heavy atom count
44
Aromatic heavy atom count
12
Fraction Csp3
0.41
Rotatable bonds
8
H-bond acceptors
9
H-bond donors
2
Molar refractivity
155.86
TPSA
159.29
LogP / Solubility
WLOGP
1.06
MLOGP
0.98
Consensus LogP
0.68
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.46
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5
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