.gif)
CAS RN: 361436-29-5
N,N-Di-(tert-Butyloxycarbonyl) Serotonin
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260329 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS361436-29-5
- Purity/Analytical Methods: >99.0%
361436-29-5 / tert-butyl 5-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indole-1-carboxylate
Basic Information
CAS
361436-29-5
Multi CAS
Yes
Molecular Formula
C20H28N2O5
Molecular Weight
376.400000
Exact Mass
376.199822
InChI
InChI=1S/C20H28N2O5/c1-19(2,3)26-17(24)21-10-9-13-12-22(18(25)27-20(4,5)6)16-8-7-14(23)11-15(13)16/h7-8,11-12,23H,9-10H2,1-6H3,(H,21,24)
InChIKey
OIDYOEXQSBWWOC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
103.18
TPSA
89.79
LogP / Solubility
WLOGP
4.2
MLOGP
3.71
XLogP3
3.9
Consensus LogP
3.94
Log S (ESOL)
-4.87
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.95
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)
-2.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
4-(4-Fluorophenoxy)phenylboronic acid
- CAS RN: 361437-00-5
- Product Code: starshine_CAS361437-00-5
- Purity/Analytical method: >99.0%
-
(1S,3S,5S)-3-(Aminocarbonyl)-2-azabicyclo[3.1.0]hexane-2-carboxylic acid tert-butyl ester
- CAS RN: 361440-67-7
- Product Code: SSC-143279
-
Saxagliptin N-3
- CAS RN: 361440-69-9
- Product Code: starshine_CAS361440-69-9
- Purity/Analytical method: >99.0%
-
Tricyclo[3.3.1.13,7]decane-1-acetonitrile,.alpha.S)-
- CAS RN: 361441-95-4
- Product Code: SSC-143281
-
(alphaS)-alpha-[[(1R)-2-Hydroxy-1-phenylethyl]aMino]-tricyclo[3.3.1.1(3,7)]decane-1-acetic acid hydrochloride
- CAS RN: 361441-96-5
- Product Code: SSC-143282
-
.gif)
![CAS 361440-67-7 (1S,3S,5S)-3-(Aminocarbonyl)-2-azabicyclo[3.1.0]hexane-2-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/361440-67-7(2).gif)
.gif)
![CAS 361441-95-4 Tricyclo[3.3.1.13,7]decane-1-acetonitrile,.alpha.S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/361441-95-4(2).gif)
![CAS 361441-96-5 (alphaS)-alpha-[[(1R)-2-Hydroxy-1-phenylethyl]aMino]-tricyclo[3.3.1.1(3,7)]decane-1-acetic acid hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/361441-96-5(2).gif)
.gif)