CAS RN: 163759-97-5
DMT-2′-O-MOE-rU Phosphoramidite
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250701 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-071159
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
163759-97-5 / 3-[[(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(2,4-dioxopyrimidin-1-yl)-4-(2-methoxyethoxy)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
Basic Information
CAS
163759-97-5
Multi CAS
No
Molecular Formula
C42H53N4O10P
Molecular Weight
804.900000
Exact Mass
804.349931
SMILES
CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1[C@H](O[C@H]([C@@H]1OCCOC)N2C=CC(=O)NC2=O)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC
InChI
InChI=1S/C42H53N4O10P/c1-29(2)46(30(3)4)57(54-25-11-23-43)56-38-36(55-40(39(38)52-27-26-49-5)45-24-22-37(47)44-41(45)48)28-53-42(31-12-9-8-10-13-31,32-14-18-34(50-6)19-15-32)33-16-20-35(51-7)21-17-33/h8-10,12-22,24,29-30,36,38-40H,11,25-28H2,1-7H3,(H,44,47,48)/t36-,38-,39-,40-,57?/m1/s1
InChIKey
ZLOKLUONKGURQI-UAQIPLLRSA-N
Computed Properties
Structural Parameters
Heavy atom count
57
Aromatic heavy atom count
24
Fraction Csp3
0.45
Rotatable bonds
21
H-bond acceptors
13
H-bond donors
1
Molar refractivity
215.2
TPSA
155.73
LogP / Solubility
WLOGP
6.15
MLOGP
5.49
XLogP3
4.7
Consensus LogP
5.45
Log S (ESOL)
-7.63
Class (ESOL)
Insoluble
Log S (Ali)
-10.6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.52
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)
-3.26
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
