CAS RN: 231957-26-9
N6-acetyl-5′-O-(4,4′-dimethoxytrityl)adenosine
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.20250612 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS231957-26-9
- Purity/Analytical Methods: >99.0%
231957-26-9 / N-[9-[(2R,3R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dihydroxyoxolan-2-yl]purin-6-yl]acetamide
Basic Information
CAS
231957-26-9
Multi CAS
No
Molecular Formula
C33H33N5O7
Molecular Weight
611.600000
Exact Mass
611.237998
SMILES
CC(=O)NC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O)O
InChI
InChI=1S/C33H33N5O7/c1-20(39)37-30-27-31(35-18-34-30)38(19-36-27)32-29(41)28(40)26(45-32)17-44-33(21-7-5-4-6-8-21,22-9-13-24(42-2)14-10-22)23-11-15-25(43-3)16-12-23/h4-16,18-19,26,28-29,32,40-41H,17H2,1-3H3,(H,34,35,37,39)/t26-,28-,29-,32-/m1/s1
InChIKey
DCCXGCVNOZKOAB-DWCTZGTLSA-N
Computed Properties
Structural Parameters
Heavy atom count
45
Aromatic heavy atom count
27
Fraction Csp3
0.27
Rotatable bonds
10
H-bond acceptors
11
H-bond donors
3
Molar refractivity
163.81
TPSA
150.08
LogP / Solubility
WLOGP
3.43
MLOGP
3.07
XLogP3
2.8
Consensus LogP
3.1
Log S (ESOL)
-5.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.68
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.02
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
Customers Also Viewed
-
N-ACETYL-5′-DMT GUANOSINE
- CAS RN: 231957-27-0
- Product Code: starshine_CAS231957-27-0
- Purity/Analytical method: >99.0%
-
MIV-150
- CAS RN: 231957-54-3
- Product Code: starshine_CAS231957-54-3
- Purity/Analytical method: >99.0%
-
-
6-[(TERT-BUTOXYCARBONYL)AMINO]NICOTINIC ACID
- CAS RN: 231958-14-8
- Product Code: SSC-112754
-
PURINE RIBOSIDE-5′-O-TRIPHOSPHATE SODIUM SALT
- CAS RN: 23197-96-8
- Product Code: starshine_CAS23197-96-8
- Purity/Analytical method: >99.0%
-
8-bromoguanosine triphosphate
- CAS RN: 23197-98-0
- Product Code: starshine_CAS23197-98-0
- Purity/Analytical method: >99.0%
![CAS 231958-14-8 6-[(TERT-BUTOXYCARBONYL)AMINO]NICOTINIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB4736037.gif)
