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 | Shanghai | Inquiry |
135072-12-7 / 4-benzylmorpholine-2-carboxamide
Basic Information
CAS
135072-12-7
Multi CAS
No
Molecular Formula
C12H16N2O2
Molecular Weight
220.270000
Exact Mass
220.121178
SMILES
C1COC(CN1CC2=CC=CC=C2)C(=O)N
InChI
InChI=1S/C12H16N2O2/c13-12(15)11-9-14(6-7-16-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,13,15)
InChIKey
VOXVOGIAHOCTAV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.65
TPSA
55.56
LogP / Solubility
WLOGP
0.37
MLOGP
0.33
XLogP3
0.4
Consensus LogP
0.37
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-3.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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4-BENZYL-2-MORPHOLINECARBOXYLIC ACID HYDROCHLORIDE
- CAS RN: 135072-15-0
- Product Code: SSC-042975
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