CAS RN: 1300019-38-8
Target Protein-binding moiety 4
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250712 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1300019-38-8
- Purity/Analytical Methods: >99.0%
1300019-38-8 / 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetic acid
Basic Information
CAS
1300019-38-8
Multi CAS
No
Molecular Formula
C20H17ClN4O3
Molecular Weight
396.800000
Exact Mass
396.098918
SMILES
CC1=NN=C2N1C3=C(C=C(C=C3)OC)C(=N[C@H]2CC(=O)O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H17ClN4O3/c1-11-23-24-20-16(10-18(26)27)22-19(12-3-5-13(21)6-4-12)15-9-14(28-2)7-8-17(15)25(11)20/h3-9,16H,10H2,1-2H3,(H,26,27)/t16-/m0/s1
InChIKey
VEIZLTSJCDOIBH-INIZCTEOSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
17
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
104.73
TPSA
89.6
LogP / Solubility
WLOGP
3.6
MLOGP
3.2
XLogP3
1.6
Consensus LogP
2.8
Log S (ESOL)
-4.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.71
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)
-2.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
-
N-[1,1′-biphenyl]-4-yl-2-Dibenzothiophenamine
- CAS RN: 1300028-93-6
- Product Code: starshine_CAS1300028-93-6
- Purity/Analytical method: >99.0%
-
2-Dibenzofuranamine, N-[1,1′-biphenyl]-4-yl
- CAS RN: 1300028-94-7
- Product Code: starshine_CAS1300028-94-7
- Purity/Analytical method: >99.0%
-
I-BET151 (GSK1210151A)
- CAS RN: 1300031-49-5
- Product Code: starshine_CAS1300031-49-5
- Purity/Analytical method: >99.0%
-
-
4-chloro-7-(3,5-dimethylisoxazol-4-yl)-6-methoxyquinoline-3-carboxamide
- CAS RN: 1300031-57-5
- Product Code: starshine_CAS1300031-57-5
- Purity/Analytical method: >99.0%
![CAS 1300028-93-6 N-[1,1′-biphenyl]-4-yl-2-Dibenzothiophenamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1300028-93-6.gif)
![CAS 1300028-94-7 2-Dibenzofuranamine, N-[1,1′-biphenyl]-4-yl molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1300028-94-7.gif)
