CAS RN: 220382-26-3
O6-CHLOROPHENYL-I CEP
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251108 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS220382-26-3
- Purity/Analytical Methods: >99.0%
220382-26-3 / 3-[[2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[6-(4-chlorophenoxy)purin-9-yl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
Basic Information
CAS
220382-26-3
Multi CAS
No
Molecular Formula
C52H64ClN6O8PSi
Molecular Weight
995.600000
Exact Mass
994.398104
SMILES
CC(C)N(C(C)C)P(OCCC#N)OC1C(OC(C1O[Si](C)(C)C(C)(C)C)N2C=NC3=C2N=CN=C3OC4=CC=C(C=C4)Cl)COC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC
InChI
InChI=1S/C52H64ClN6O8PSi/c1-35(2)59(36(3)4)68(63-31-15-30-54)66-46-44(32-62-52(37-16-13-12-14-17-37,38-18-24-41(60-8)25-19-38)39-20-26-42(61-9)27-21-39)65-50(47(46)67-69(10,11)51(5,6)7)58-34-57-45-48(58)55-33-56-49(45)64-43-28-22-40(53)23-29-43/h12-14,16-29,33-36,44,46-47,50H,15,31-32H2,1-11H3
InChIKey
PPOOCYGMZJCPNH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
69
Aromatic heavy atom count
33
Fraction Csp3
0.42
Rotatable bonds
21
H-bond acceptors
14
Molar refractivity
271.18
TPSA
144.47
LogP / Solubility
WLOGP
12.25
MLOGP
10.87
XLogP3
12.25
Consensus LogP
11.79
Log S (ESOL)
-12.7
Class (ESOL)
Insoluble
Log S (Ali)
-16.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.82
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)
-0.1
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
8.5
Customers Also Viewed
-
2-FLUORO-I CEP
- CAS RN: 220382-27-4
- Product Code: starshine_CAS220382-27-4
- Purity/Analytical method: >99.0%
-
O4-CHLOROPHENYL-U CEP
- CAS RN: 220382-28-5
- Product Code: starshine_CAS220382-28-5
- Purity/Analytical method: >99.0%
-
5-Epicanadensene
- CAS RN: 220384-17-8
- Product Code: starshine_CAS220384-17-8
- Purity/Analytical method: >99.0%
-
(1R)-1-(NAPHTHALEN-1-YL)PROPAN-1-AMINE
- CAS RN: 22038-83-1
- Product Code: starshine_CAS22038-83-1
- Purity/Analytical method: >99.0%
-
-
