CAS RN: 1391510-98-7
(S)-3-(p-Tolyl)morpholine hydrochloride
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.20250409 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1391510-98-7
- Purity/Analytical Methods: >99.0%
1391510-98-7 / (3S)-3-(4-methylphenyl)morpholine;hydrochloride
Basic Information
CAS
1391510-98-7
Multi CAS
No
Molecular Formula
C11H16ClNO
Molecular Weight
213.700000
Exact Mass
213.092042
SMILES
CC1=CC=C(C=C1)[C@H]2COCCN2.Cl
InChI
InChI=1S/C11H15NO.ClH/c1-9-2-4-10(5-3-9)11-8-13-7-6-12-11;/h2-5,11-12H,6-8H2,1H3;1H/t11-;/m1./s1
InChIKey
GBEZZTSPCWVJES-RFVHGSKJSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.99
TPSA
21.26
LogP / Solubility
WLOGP
2.08
MLOGP
1.83
XLogP3
2.08
Consensus LogP
2
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
Class (SILICOS-IT)
Moderately 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)
-2.55
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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![CAS 1391515-12-0 (2S)-2-AMINO-2-[4-(METHYLETHYL)PHENYL]ETHAN-1-OL HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1391515-12-0.gif)
