CAS RN: 1403383-55-0
(S)-4-(4-((3-amino-2-hydroxypropyl)amino)phenyl)morpholin-3-one hydrochloride
- Product code: SSC-050888
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 |
1403383-55-0 / 4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-one;hydrochloride
Basic Information
CAS
1403383-55-0
Multi CAS
No
Molecular Formula
C13H20ClN3O3
Molecular Weight
301.770000
Exact Mass
301.119319
SMILES
C1COCC(=O)N1C2=CC=C(C=C2)NCC(CN)O.Cl
InChI
InChI=1S/C13H19N3O3.ClH/c14-7-12(17)8-15-10-1-3-11(4-2-10)16-5-6-19-9-13(16)18;/h1-4,12,15,17H,5-9,14H2;1H
InChIKey
SOQXBVLFNGZAMJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
3
Molar refractivity
80.41
TPSA
87.82
LogP / Solubility
WLOGP
0.2
MLOGP
0.19
XLogP3
0.2
Consensus LogP
0.2
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
Customers Also Viewed
-
1H-Indole-6-carboxylic acid, 7-bromo-, methyl ester
- CAS RN: 1403457-00-0
- Product Code: SSC-050893
-
Zirconium, octa-μ -hydroxyoctahydroxybis[μ-[4-[10,15,20-tris(4-carboxyphenyl)-21H,23H-porphin-5-yl]benzoato(4-)-κO:κO’]]hexa-
- CAS RN: 1403461-06-2
- Product Code: starshine_CAS1403461-06-2
- Purity/Analytical method: >99.0%
-
1H-BenziMidazole-7-carboxylic acid, 1-[[2′-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)[1,1′-biphenyl]-4-yl]Methyl] -2-ethoxy-, ethyl ester
- CAS RN: 1403474-70-3
- Product Code: SSC-050897
-
-
-
7′-chlorospiro[cyclopropane-1,3′-indolin]-2′-one
- CAS RN: 1403564-65-7
- Product Code: SSC-050904
![CAS 1403461-06-2 Zirconium, octa-μ -hydroxyoctahydroxybis[μ-[4-[10,15,20-tris(4-carboxyphenyl)-21H,23H-porphin-5-yl]benzoato(4-)-κO:κO’]]hexa- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1403461-06-2.gif)
![CAS 1403474-70-3 1H-BenziMidazole-7-carboxylic acid, 1-[[2′-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)[1,1′-biphenyl]-4-yl]Methyl] -2-ethoxy-, ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1403474-70-3.gif)
![CAS 1403564-65-7 7′-chlorospiro[cyclopropane-1,3′-indolin]-2′-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1403564-65-7.gif)