![CAS 1035229-35-6 8-(2-aMinoethyl)-5-hydroxy-2H-benzo[b][1,4]oxazin-3(4H)-one hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1035229-35-6.gif)
CAS RN: 1035229-35-6
8-(2-aMinoethyl)-5-hydroxy-2H-benzo[b][1,4]oxazin-3(4H)-one hydrochloride
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250130 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1035229-35-6
- Purity/Analytical Methods: >99.0%
1035229-35-6 / 8-(2-aminoethyl)-5-hydroxy-4H-1,4-benzoxazin-3-one;hydrochloride
8-(2-Aminoethyl)-5-hydroxy-2H-benzo[b][1,4]oxazin-3(4H)-one hydrochloride | MFCD22575151 | 8-(2-aminoethyl)-5-hydroxy-4H-1,4-benzoxazin-3-one;hydrochloride
Basic Information
CAS
1035229-35-6
Multi CAS
Yes
Molecular Formula
C10H13ClN2O3
Molecular Weight
244.670000
Exact Mass
244.061470
SMILES
C1C(=O)NC2=C(C=CC(=C2O1)CCN)O.Cl
InChI
InChI=1S/C10H12N2O3.ClH/c11-4-3-6-1-2-7(13)9-10(6)15-5-8(14)12-9;/h1-2,13H,3-5,11H2,(H,12,14);1H
InChIKey
YFMULFZNMRCEHG-UHFFFAOYSA-N
Synonyms
8-(2-Aminoethyl)-5-hydroxy-2H-benzo[b][1,4]oxazin-3(4H)-one hydrochloride
MFCD22575151
8-(2-aminoethyl)-5-hydroxy-4H-1,4-benzoxazin-3-one;hydrochloride
8-(2-Aminoethyl)-5-hydroxy-2H-benzo[b]-[1,4]oxazin-3(4H)-one hydrochloride
8-(2-AMINOETHYL)-5-HYDROXY-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE HCL
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
3
Molar refractivity
62.24
TPSA
84.58
LogP / Solubility
WLOGP
0.65
MLOGP
0.57
XLogP3
0.65
Consensus LogP
0.62
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.03
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)
-3.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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