CAS RN: 55805-95-3
1-(2-hydroxy-5-nitrophenyl)propan-1-one
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.20260202 | 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS55805-95-3
- Purity/Analytical Methods: >99.0%
55805-95-3 / 1-(2-hydroxy-5-nitrophenyl)propan-1-one
Basic Information
CAS
55805-95-3
Multi CAS
No
Molecular Formula
C9H9NO4
Molecular Weight
195.170000
Exact Mass
195.053158
InChI
InChI=1S/C9H9NO4/c1-2-8(11)7-5-6(10(13)14)3-4-9(7)12/h3-5,12H,2H2,1H3
InChIKey
XNYKMZXGGPYALK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.38
TPSA
80.44
LogP / Solubility
WLOGP
1.89
MLOGP
1.67
XLogP3
2.4
Consensus LogP
1.99
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
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)
-2.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
1-BENZOTHIOPHEN-3-YLMETHYLAMINE HYDROCHLORIDE
- CAS RN: 55810-74-7
- Product Code: SSC-163782
-
(5-Bromobenzo[b]thiophen-3-yl)methanamine, HCl
- CAS RN: 55810-75-8
- Product Code: SSC-163783
-
Windaus Ketone
- CAS RN: 55812-80-1
- Product Code: starshine_CAS55812-80-1
- Purity/Analytical method: >99.0%
![CAS 55810-75-8 (5-Bromobenzo[b]thiophen-3-yl)methanamine, HCl molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/55810-75-8.gif)
