CAS RN: 2064175-41-1
dTAG-13
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260416 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2064175-41-1
- Purity/Analytical Methods: >99.0%
2064175-41-1 / [(1R)-3-(3,4-dimethoxyphenyl)-1-[2-[2-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyhexylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate
Basic Information
CAS
2064175-41-1
Multi CAS
No
Molecular Formula
C57H68N4O15
Molecular Weight
1049.200000
Exact Mass
1048.468117
SMILES
CC[C@@H](C1=CC(=C(C(=C1)OC)OC)OC)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCC3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4OCC(=O)NCCCCCCOC5=CC=CC6=C5C(=O)N(C6=O)C7CCC(=O)NC7=O
InChI
InChI=1S/C57H68N4O15/c1-7-37(36-32-47(71-4)52(73-6)48(33-36)72-5)54(65)60-29-14-12-19-41(60)57(68)76-43(25-22-35-23-26-44(69-2)46(31-35)70-3)38-17-10-11-20-42(38)75-34-50(63)58-28-13-8-9-15-30-74-45-21-16-18-39-51(45)56(67)61(55(39)66)40-24-27-49(62)59-53(40)64/h10-11,16-18,20-21,23,26,31-33,37,40-41,43H,7-9,12-15,19,22,24-25,27-30,34H2,1-6H3,(H,58,63)(H,59,62,64)/t37-,40?,41-,43+/m0/s1
InChIKey
BJFBRLAWLPZOMJ-QHVFGHLPSA-N
Computed Properties
Structural Parameters
Heavy atom count
76
Aromatic heavy atom count
24
Fraction Csp3
0.46
Rotatable bonds
26
H-bond acceptors
15
H-bond donors
2
Molar refractivity
277.21
TPSA
223.87
LogP / Solubility
WLOGP
7.06
MLOGP
6.31
XLogP3
7.4
Consensus LogP
6.92
Log S (ESOL)
-9.31
Class (ESOL)
Insoluble
Log S (Ali)
-13.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.46
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)
-4.11
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8
Customers Also Viewed
-
5-bromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine
- CAS RN: 2064225-89-2
- Product Code: SSC-097277
-
A1874
- CAS RN: 2064292-12-0
- Product Code: starshine_CAS2064292-12-0
- Purity/Analytical method: >99.0%
-
-
(S)-(3-hydroxy-3-(piperidin-2-yl)azetidin-1-yl)(2,3,4-trifluorophenyl)methanone HCL
- CAS RN: 2065147-70-6
- Product Code: SSC-097307
-
1-(benzo[d]thiazol-2-yl)-1-(4-fluorophenyl)pent-4-en-1-ol
- CAS RN: 2065187-04-2
- Product Code: starshine_CAS2065187-04-2
- Purity/Analytical method: >99.0%
-
Carmichaenine A
- CAS RN: 2065228-59-1
- Product Code: starshine_CAS2065228-59-1
- Purity/Analytical method: >99.0%
![CAS 2065187-04-2 1-(benzo[d]thiazol-2-yl)-1-(4-fluorophenyl)pent-4-en-1-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2065187-04-2.png)
