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: 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
135072-23-0 / N,N-dimethylmorpholine-2-carboxamide
Basic Information
CAS
135072-23-0
Multi CAS
No
Molecular Formula
C7H14N2O2
Molecular Weight
158.200000
Exact Mass
158.105528
SMILES
CN(C)C(=O)C1CNCCO1
InChI
InChI=1S/C7H14N2O2/c1-9(2)7(10)6-5-8-3-4-11-6/h6,8H,3-5H2,1-2H3
InChIKey
BLBLRJCALSOJFU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.3
TPSA
41.57
LogP / Solubility
WLOGP
-0.94
MLOGP
-0.83
XLogP3
-1
Consensus LogP
-0.92
Log S (ESOL)
-0.16
Class (ESOL)
Very soluble
Log S (Ali)
-0.18
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.03
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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2,3,4,5-TETRAMETHYLCYCLOPENTADIENEDIMETHYLSILYL-TERT-BUTYLAMIDO TITANIUM DICHLORIDE
- CAS RN: 135072-61-6
- Product Code: starshine_CAS135072-61-6
- Purity/Analytical method: >99.0%
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