CAS RN: 75062-54-3
N-Tosyl-L-alanine 3-indoxyl ester
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock3 grade groups
- Product code: starshine_CAS75062-54-3
- Purity/Analytical Methods: >99.0%
75062-54-3 / 1H-indol-3-yl 2-[(4-methylphenyl)sulfonylamino]propanoate
Basic Information
CAS
75062-54-3
Multi CAS
Yes
Molecular Formula
C18H18N2O4S
Molecular Weight
358.400000
Exact Mass
358.098728
InChI
InChI=1S/C18H18N2O4S/c1-12-7-9-14(10-8-12)25(22,23)20-13(2)18(21)24-17-11-19-16-6-4-3-5-15(16)17/h3-11,13,19-20H,1-2H3/t13-/m0/s1
InChIKey
CBIVSVOVPJAVRE-ZDUSSCGKSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
15
Fraction Csp3
0.17
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
94.9
TPSA
88.26
LogP / Solubility
WLOGP
2.75
MLOGP
2.44
XLogP3
3.5
Consensus LogP
2.9
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.87
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
Yes
Log Kp (skin permeation)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
![CAS 75067-66-2 4-(4-bromophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidinyl decanoate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
4-(4-bromophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidinyl decanoate
- CAS RN: 75067-66-2
- Product Code: starshine_CAS75067-66-2
- Purity/Analytical method: >99.0%
-
20,24-Dihydroxydammar-25-en-3-one
- CAS RN: 75069-59-9
- Product Code: starshine_CAS75069-59-9
- Purity/Analytical method: >99.0%
-
-
ethyl 7-chloro-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
- CAS RN: 75073-15-3
- Product Code: starshine_CAS75073-15-3
- Purity/Analytical method: >99.0%
-
Temarotene
- CAS RN: 75078-91-0
- Product Code: starshine_CAS75078-91-0
- Purity/Analytical method: >99.0%
-
Isopropyl-9H-thioxanthen-9-one
- CAS RN: 75081-21-9
- Product Code: starshine_CAS75081-21-9
- Purity/Analytical method: >99.0%
![CAS 75067-66-2 4-(4-bromophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidinyl decanoate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/75067-66-2.gif)
