![CAS 1152172-19-4 Adenosine, N,N-bis[(1,1-diMethylethoxy)carbonyl]-2′,3′-O-(1-Methylethylidene)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1152172-19-4.gif)
CAS RN: 1152172-19-4
Adenosine, N,N-bis[(1,1-diMethylethoxy)carbonyl]-2′,3′-O-(1-Methylethylidene)-
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.20260625 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-014909
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 | Beijing | Inquiry |
1152172-19-4 / tert-butyl N-[9-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
Basic Information
CAS
1152172-19-4
Multi CAS
Yes
Molecular Formula
C23H33N5O8
Molecular Weight
507.500000
Exact Mass
507.232913
SMILES
CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=NC4=C3N=CN=C4N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CO)C
InChI
InChI=1S/C23H33N5O8/c1-21(2,3)35-19(30)28(20(31)36-22(4,5)6)17-13-16(24-10-25-17)27(11-26-13)18-15-14(12(9-29)32-18)33-23(7,8)34-15/h10-12,14-15,18,29H,9H2,1-8H3/t12-,14-,15-,18-/m1/s1
InChIKey
HAVVIXOQRJHQMM-SCFUHWHPSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
9
Fraction Csp3
0.7
Rotatable bonds
3
H-bond acceptors
12
H-bond donors
1
Molar refractivity
125.09
TPSA
147.36
LogP / Solubility
WLOGP
2.91
MLOGP
2.6
XLogP3
1.7
Consensus LogP
2.4
Log S (ESOL)
-4.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.74
Class (SILICOS-IT)
Slightly soluble
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)
-3.75
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6.5
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