![CAS 2064175-32-0 (1R)-3-(3,4-dimethoxyphenyl)-1-[2-({[3-(2-{2-[3-(2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy}acetamido)propoxy]ethoxy}ethoxy)propyl]carbamoyl}methoxy)phenyl]propyl (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2064175-32-0.png)
CAS RN: 2064175-32-0
(1R)-3-(3,4-dimethoxyphenyl)-1-[2-({[3-(2-{2-[3-(2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy}acetamido)propoxy]ethoxy}ethoxy)propyl]carbamoyl}methoxy)phenyl]propyl (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: starshine_CAS2064175-32-0
- Purity/Analytical Methods: >99.0%
2064175-32-0 / [(1R)-3-(3,4-dimethoxyphenyl)-1-[2-[2-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate
Basic Information
CAS
2064175-32-0
Multi CAS
No
Molecular Formula
C63H79N5O19
Molecular Weight
1210.300000
Exact Mass
1209.536925
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)NCCCOCCOCCOCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C6=O)C7CCC(=O)NC7=O
InChI
InChI=1S/C63H79N5O19/c1-7-42(41-36-52(79-4)58(81-6)53(37-41)80-5)60(73)67-28-11-10-17-46(67)63(76)87-48(23-20-40-21-24-49(77-2)51(35-40)78-3)43-15-8-9-18-47(43)85-38-55(70)64-26-13-29-82-31-33-84-34-32-83-30-14-27-65-56(71)39-86-50-19-12-16-44-57(50)62(75)68(61(44)74)45-22-25-54(69)66-59(45)72/h8-9,12,15-16,18-19,21,24,35-37,42,45-46,48H,7,10-11,13-14,17,20,22-23,25-34,38-39H2,1-6H3,(H,64,70)(H,65,71)(H,66,69,72)/t42-,45?,46-,48+/m0/s1
InChIKey
IFCAWDLUIZXIPI-FJDAOBEISA-N
Computed Properties
Structural Parameters
Heavy atom count
87
Aromatic heavy atom count
24
Fraction Csp3
0.49
Rotatable bonds
35
H-bond acceptors
19
H-bond donors
3
Molar refractivity
313.44
TPSA
280.66
LogP / Solubility
WLOGP
5.44
MLOGP
4.91
XLogP3
5.5
Consensus LogP
5.28
Log S (ESOL)
-8.67
Class (ESOL)
Insoluble
Log S (Ali)
-13.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.24
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-6.24
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
-
dTAG-13
- CAS RN: 2064175-41-1
- Product Code: starshine_CAS2064175-41-1
- Purity/Analytical method: >99.0%
-
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%
![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)