CAS RN: 885322-06-5
(S)-GNA-C(Bz)-phosphoramidite
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.20250215 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS885322-06-5
- Purity/Analytical Methods: >99.0%
885322-06-5 / N-[1-[(2S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropyl]-2-oxopyrimidin-4-yl]benzamide
Basic Information
CAS
885322-06-5
Multi CAS
No
Molecular Formula
C44H50N5O7P
Molecular Weight
791.900000
Exact Mass
791.344786
InChI
InChI=1S/C44H50N5O7P/c1-32(2)49(33(3)4)57(55-29-13-27-45)56-40(30-48-28-26-41(47-43(48)51)46-42(50)34-14-9-7-10-15-34)31-54-44(35-16-11-8-12-17-35,36-18-22-38(52-5)23-19-36)37-20-24-39(53-6)25-21-37/h7-12,14-26,28,32-33,40H,13,29-31H2,1-6H3,(H,46,47,50,51)/t40-,57?/m0/s1
InChIKey
IQSXGILXOHYNMA-CIMWKYAKSA-N
Computed Properties
Structural Parameters
Heavy atom count
57
Aromatic heavy atom count
30
Fraction Csp3
0.32
Rotatable bonds
20
H-bond acceptors
11
H-bond donors
1
Molar refractivity
221.24
TPSA
137.17
LogP / Solubility
WLOGP
8.18
MLOGP
7.27
XLogP3
6.6
Consensus LogP
7.35
Log S (ESOL)
-8.97
Class (ESOL)
Insoluble
Log S (Ali)
-11.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14
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)
-1.74
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
6
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