![CAS 300567-24-2 Benzoic acid, 4-[(3-methoxy-3-oxopropyl)thio]-3-nitro-, methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/300567-24-2.gif)
CAS RN: 300567-24-2
Benzoic acid, 4-[(3-methoxy-3-oxopropyl)thio]-3-nitro-, methyl ester
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.20260330 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS300567-24-2
- Purity/Analytical Methods: >99.0%
300567-24-2 / methyl 4-(3-methoxy-3-oxopropyl)sulfanyl-3-nitrobenzoate
Basic Information
CAS
300567-24-2
Multi CAS
No
Molecular Formula
C12H13NO6S
Molecular Weight
299.300000
Exact Mass
299.046358
InChI
InChI=1S/C12H13NO6S/c1-18-11(14)5-6-20-10-4-3-8(12(15)19-2)7-9(10)13(16)17/h3-4,7H,5-6H2,1-2H3
InChIKey
XYRFGRPUSVXKBF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
7
Molar refractivity
71.79
TPSA
95.74
LogP / Solubility
WLOGP
2.04
MLOGP
1.8
XLogP3
1.9
Consensus LogP
1.91
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly 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)
-3.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 300576-59-4 (+)-(4aR,10bR)-3,4,4a,10b-Tetrahydro-4-propyl-2H,5H-[1]benzopyrano[4,3-b]-1,4-oxazin-9-ol hydrochloride molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
(+)-(4aR,10bR)-3,4,4a,10b-Tetrahydro-4-propyl-2H,5H-[1]benzopyrano[4,3-b]-1,4-oxazin-9-ol hydrochloride
- CAS RN: 300576-59-4
- Product Code: starshine_CAS300576-59-4
- Purity/Analytical method: >99.0%
-
[2-(2-biphenylyloxy)ethyl]amine hydrochloride
- CAS RN: 300577-09-7
- Product Code: SSC-133661
-
-
4-HYDROXY-2-METHYLQUINOLINE-6-CARBOXYLIC ACID ETHYL ESTER
- CAS RN: 300590-94-7
- Product Code: SSC-133668
-
2-Iodo-4-nitro-benzonitrile
- CAS RN: 300627-43-4
- Product Code: starshine_CAS300627-43-4
- Purity/Analytical method: >99.0%
-
2”-(5-ETHYL-3,4-DIPHENYL-PYRAZOL-1-YL)-BIPHENYL-3-YLOXY]ACETIC ACID
- CAS RN: 300657-03-8
- Product Code: SSC-133677
![CAS 300576-59-4 (+)-(4aR,10bR)-3,4,4a,10b-Tetrahydro-4-propyl-2H,5H-[1]benzopyrano[4,3-b]-1,4-oxazin-9-ol hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/300576-59-4.gif)
![CAS 300577-09-7 [2-(2-biphenylyloxy)ethyl]amine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/300577-09-7.gif)
![CAS 300657-03-8 2”-(5-ETHYL-3,4-DIPHENYL-PYRAZOL-1-YL)-BIPHENYL-3-YLOXY]ACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/300657-03-8.gif)