CAS RN: 578705-47-2
6-FMOC-AMINO-D-LUCIFERIN
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: starshine_CAS578705-47-2
- Purity/Analytical Methods: >99.0%
578705-47-2 / (4S)-2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
Basic Information
CAS
578705-47-2
Multi CAS
Yes
Molecular Formula
C26H19N3O4S2
Molecular Weight
501.600000
Exact Mass
501.081698
InChI
InChI=1S/C26H19N3O4S2/c30-25(31)21-13-34-23(29-21)24-28-20-10-9-14(11-22(20)35-24)27-26(32)33-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-11,19,21H,12-13H2,(H,27,32)(H,30,31)
InChIKey
ZKXGWUCUGSIASJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
21
Fraction Csp3
0.15
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
2
Molar refractivity
138.73
TPSA
100.88
LogP / Solubility
WLOGP
5.6
MLOGP
4.97
XLogP3
5.3
Consensus LogP
5.29
Log S (ESOL)
-6.59
Class (ESOL)
Insoluble
Log S (Ali)
-7.72
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.17
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.8
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
4.5
Customers Also Viewed
-
![CAS 578706-31-7 Carbamic acid, [2-(cyclopropylamino)ethyl]-, 1,1-dimethylethyl ester (9CI) molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Carbamic acid, [2-(cyclopropylamino)ethyl]-, 1,1-dimethylethyl ester (9CI)
- CAS RN: 578706-31-7
- Product Code: SSC-166069
-
Myrianthic acid 3,23-acetonide
- CAS RN: 578710-52-8
- Product Code: starshine_CAS578710-52-8
- Purity/Analytical method: >99.0%
-
1-Oxaspiro[2.3]hexane-5-carboxylicacid,methylester,trans-(9CI)
- CAS RN: 578715-80-7
- Product Code: SSC-166070
-
-
(R)-tert-butyl 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-
- CAS RN: 578729-05-2
- Product Code: SSC-166073
-
(R)-[1-(4-Bromophenyl)ethyl]carbamic acid tert-butyl ester
- CAS RN: 578729-21-2
- Product Code: SSC-166075
![CAS 578706-31-7 Carbamic acid, [2-(cyclopropylamino)ethyl]-, 1,1-dimethylethyl ester (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/578706-31-7.gif)
![CAS 578715-80-7 1-Oxaspiro[2.3]hexane-5-carboxylicacid,methylester,trans-(9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/578715-80-7.gif)
![CAS 578729-21-2 (R)-[1-(4-Bromophenyl)ethyl]carbamic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/578729-21-2.gif)