CAS RN: 894787-30-5
ST 2825
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260126 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS894787-30-5
- Purity/Analytical Methods: >99.0%
894787-30-5 / (4R,7R,8aR)-1'-[2-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]acetyl]-6-oxospiro[3,4,8,8a-tetrahydro-2H-pyrrolo[2,1-b][1,3]thiazine-7,2'-pyrrolidine]-4-carboxamide
Basic Information
CAS
894787-30-5
Multi CAS
Yes
Molecular Formula
C27H28CL2N4O5S
Molecular Weight
591.500000
Exact Mass
590.115747
InChI
InChI=1S/C27H28Cl2N4O5S/c28-17-4-7-21(19(29)13-17)38-15-22(34)31-18-5-2-16(3-6-18)12-23(35)32-10-1-9-27(32)14-24-33(26(27)37)20(25(30)36)8-11-39-24/h2-7,13,20,24H,1,8-12,14-15H2,(H2,30,36)(H,31,34)/t20-,24-,27-/m1/s1
InChIKey
HBLHLJXFIPCEMW-ZJSFPPFMSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
12
Fraction Csp3
0.41
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
149.72
TPSA
122.04
LogP / Solubility
WLOGP
3.46
MLOGP
3.1
XLogP3
3.4
Consensus LogP
3.32
Log S (ESOL)
-5.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.22
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-3.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7.5
Customers Also Viewed
-
-
(2S)-[[N-(tert-Butoxycarbonyl)-N-methyl-L-alanyl]amino](cyclohexyl)ethanoic acid
- CAS RN: 894789-27-6
- Product Code: starshine_CAS894789-27-6
- Purity/Analytical method: >99.0%
-
tert-Butyl 2-(tetrahydro-4H-pyran-4-ylidene)acetate
- CAS RN: 894789-82-3
- Product Code: SSC-201440
-
2-(4-Methyl-tetrahydro-2H-pyran-4-yl)acetic acid
- CAS RN: 894789-84-5
- Product Code: SSC-201441
-
Methyl 2-(Cbz-aMino)-2-(tetrahydrothiopyran-4-ylidene)acetate
- CAS RN: 894790-18-2
- Product Code: SSC-201444
-
3,6-dibromo-9-(4-biphenylyl)carbazole
- CAS RN: 894791-50-5
- Product Code: starshine_CAS894791-50-5
- Purity/Analytical method: >99.0%
![CAS 894789-27-6 (2S)-[[N-(tert-Butoxycarbonyl)-N-methyl-L-alanyl]amino](cyclohexyl)ethanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/894789-27-6.gif)
