CAS RN: 178925-28-5
2′-DEOXYNEBULARINE 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.20260406 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS178925-28-5
- Purity/Analytical Methods: >99.0%
178925-28-5 / 3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-purin-9-yloxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
Basic Information
CAS
178925-28-5
Multi CAS
No
Molecular Formula
C40H47N6O6P
Molecular Weight
738.800000
Exact Mass
738.329470
SMILES
CC(C)N(C(C)C)P(OCCC#N)O[C@H]1C[C@@H](O[C@@H]1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C=NC6=CN=CN=C65
InChI
InChI=1S/C40H47N6O6P/c1-28(2)46(29(3)4)53(50-22-10-21-41)52-36-23-38(45-27-44-35-24-42-26-43-39(35)45)51-37(36)25-49-40(30-11-8-7-9-12-30,31-13-17-33(47-5)18-14-31)32-15-19-34(48-6)20-16-32/h7-9,11-20,24,26-29,36-38H,10,22-23,25H2,1-6H3/t36-,37+,38+,53?/m0/s1
InChIKey
XMLXGCMUAVWROJ-BCVNGPOBSA-N
Computed Properties
Structural Parameters
Heavy atom count
53
Aromatic heavy atom count
27
Fraction Csp3
0.4
Rotatable bonds
17
H-bond acceptors
12
Molar refractivity
202.2
TPSA
126.01
LogP / Solubility
WLOGP
7.8
MLOGP
6.93
XLogP3
6
Consensus LogP
6.91
Log S (ESOL)
-8.59
Class (ESOL)
Insoluble
Log S (Ali)
-11.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.98
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)
-1.69
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
7.5
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