CAS RN: 24514-56-5
5′-Chloro-5′-deoxy-2′,3′-O-isopropylideneadenosine
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: starshine_CAS24514-56-5
- Purity/Analytical Methods: >99.0%
24514-56-5 / 9-[(3aR,4R,6S,6aS)-6-(chloromethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-amine
Basic Information
CAS
24514-56-5
Multi CAS
No
Molecular Formula
C13H16ClN5O3
Molecular Weight
325.750000
Exact Mass
325.094167
SMILES
CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=NC4=C(N=CN=C43)N)CCl)C
InChI
InChI=1S/C13H16ClN5O3/c1-13(2)21-8-6(3-14)20-12(9(8)22-13)19-5-18-7-10(15)16-4-17-11(7)19/h4-6,8-9,12H,3H2,1-2H3,(H2,15,16,17)/t6-,8-,9-,12-/m1/s1
InChIKey
RWTKKXHFQYWSKL-WOUKDFQISA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
9
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
8
H-bond donors
1
Molar refractivity
78.19
TPSA
97.31
LogP / Solubility
WLOGP
1.06
MLOGP
0.95
XLogP3
0.4
Consensus LogP
0.8
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
5
Customers Also Viewed
-
n-tritriacontane-16,18-dione
- CAS RN: 24514-86-1
- Product Code: starshine_CAS24514-86-1
- Purity/Analytical method: >99.0%
-
1-BICYCLO[2.2.1]HEPT-2-YLETHANAMINE HYDROCHLORIDE
- CAS RN: 24520-59-0
- Product Code: SSC-119184
-
4-HYDROXY-6-MERCAPTOPYRAZOLO[3,4-D]PYRIMIDINE
- CAS RN: 24521-76-4
- Product Code: starshine_CAS24521-76-4
- Purity/Analytical method: >99.0%
-
2-Cyano-N-(4-broMophenyl)-acetaMide
- CAS RN: 24522-26-7
- Product Code: starshine_CAS24522-26-7
- Purity/Analytical method: >99.0%
-
1-(4-Fluorophenyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
- CAS RN: 24522-49-4
- Product Code: SSC-119189
-
![CAS 24520-59-0 1-BICYCLO[2.2.1]HEPT-2-YLETHANAMINE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB3685110.gif)
![CAS 24521-76-4 4-HYDROXY-6-MERCAPTOPYRAZOLO[3,4-D]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/24521-76-4.gif)
