CAS RN: 1345715-43-6
Rev 2′-O-MOE-5MeU-5′-amidite
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.20251110 | 50mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1345715-43-6
- Purity/Analytical Methods: >99.0%
1345715-43-6 / 3-[[(2R,3R,4R,5R)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
Basic Information
CAS
1345715-43-6
Multi CAS
No
Molecular Formula
C43H55N4O10P
Molecular Weight
818.900000
Exact Mass
818.365581
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(N(C(C)C)C(C)C)OCCC#N)OC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OCCOC
InChI
InChI=1S/C43H55N4O10P/c1-29(2)47(30(3)4)58(54-24-12-23-44)55-28-37-38(39(53-26-25-50-6)41(56-37)46-27-31(5)40(48)45-42(46)49)57-43(32-13-10-9-11-14-32,33-15-19-35(51-7)20-16-33)34-17-21-36(52-8)22-18-34/h9-11,13-22,27,29-30,37-39,41H,12,24-26,28H2,1-8H3,(H,45,48,49)/t37-,38-,39-,41-,58?/m1/s1
InChIKey
YXJWAPDGJHYLNH-KZQAAKLLSA-N
Computed Properties
Structural Parameters
Heavy atom count
58
Aromatic heavy atom count
24
Fraction Csp3
0.47
Rotatable bonds
21
H-bond acceptors
13
H-bond donors
1
Molar refractivity
219.94
TPSA
155.73
LogP / Solubility
WLOGP
6.46
MLOGP
5.76
XLogP3
5.1
Consensus LogP
5.77
Log S (ESOL)
-7.91
Class (ESOL)
Insoluble
Log S (Ali)
-10.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.87
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)
-3.13
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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