![CAS 131603-98-0 (3-Oxo-3,4-dihydro-2H-benzo[1,4]oxazin-2-yl)-acetic acid hydrazide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/131603-98-0.gif)
CAS RN: 131603-98-0
(3-Oxo-3,4-dihydro-2H-benzo[1,4]oxazin-2-yl)-acetic acid hydrazide
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: starshine_CAS131603-98-0
- Purity/Analytical Methods: >99.0%
131603-98-0 / 2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetohydrazide
Basic Information
CAS
131603-98-0
Multi CAS
No
Molecular Formula
C10H11N3O3
Molecular Weight
221.210000
Exact Mass
221.080041
SMILES
C1=CC=C2C(=C1)NC(=O)C(O2)CC(=O)NN
InChI
InChI=1S/C10H11N3O3/c11-13-9(14)5-8-10(15)12-6-3-1-2-4-7(6)16-8/h1-4,8H,5,11H2,(H,12,15)(H,13,14)
InChIKey
DCTQFLQRWFRVNH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
3
Molar refractivity
56.43
TPSA
93.45
LogP / Solubility
WLOGP
-0.23
MLOGP
-0.2
XLogP3
-0.6
Consensus LogP
-0.34
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.14
Class (SILICOS-IT)
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)
-4.24
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
2
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
3-chloro-N-(3-chloro-4-fluorophenyl)propanamide
- CAS RN: 131605-66-8
- Product Code: starshine_CAS131605-66-8
- Purity/Analytical method: >99.0%
-
5-propylindoline-2,3-dione
- CAS RN: 131609-60-4
- Product Code: starshine_CAS131609-60-4
- Purity/Analytical method: >99.0%
-
-
2-CHLORO-6-FLUORO-3-METHYLQUINOLINE
- CAS RN: 131610-11-2
- Product Code: starshine_CAS131610-11-2
- Purity/Analytical method: >99.0%
-
6-(bromomethyl)quinazoline
- CAS RN: 131610-21-4
- Product Code: starshine_CAS131610-21-4
- Purity/Analytical method: >99.0%
-
ruthenium(II)chloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/131614-43-2.gif)
Chloro[(R)-(+)-2,2′-bis(di-p-tolylphosphino)-1,1′-binaphthyl](p-cymene)ruthenium(II)chloride
- CAS RN: 131614-43-2
- Product Code: starshine_CAS131614-43-2
- Purity/Analytical method: >99.0%