![CAS 796065-15-1 β-Alanine, N-[4-[[(4-ethoxyphenyl)sulfonyl]amino]benzoyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/796065-15-1.gif)
CAS RN: 796065-15-1
β-Alanine, N-[4-[[(4-ethoxyphenyl)sulfonyl]amino]benzoyl]-
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260319 | 100mg | In stock | Shenzhen, Tianjin | Inquiry | |
| Batchno.20251226 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20251012 | 1g | In stock | Shenzhen, Wuhan, Chengdu | Inquiry | |
| Batchno.20250802 | 250mg | In stock | Tianjin, Chengdu | Inquiry | |
| Batchno.20260512 | 5g | In stock | Shenzhen | Inquiry |
- Product code: starshine_CAS796065-15-1
- Purity/Analytical Methods: >99.0%
796065-15-1 / 3-[[4-[(4-ethoxyphenyl)sulfonylamino]benzoyl]amino]propanoic acid
Basic Information
CAS
796065-15-1
Multi CAS
No
Molecular Formula
C18H20N2O6S
Molecular Weight
392.400000
Exact Mass
392.104208
InChI
InChI=1S/C18H20N2O6S/c1-2-26-15-7-9-16(10-8-15)27(24,25)20-14-5-3-13(4-6-14)18(23)19-12-11-17(21)22/h3-10,20H,2,11-12H2,1H3,(H,19,23)(H,21,22)
InChIKey
MUEAZTNLRXDROO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
3
Molar refractivity
99.45
TPSA
121.8
LogP / Solubility
WLOGP
2.09
MLOGP
1.86
XLogP3
1.6
Consensus LogP
1.85
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.03
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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