CAS RN: 51549-29-2
2′,3′-Di-O-(tert-butyldiMethylsilyl)-2′-deoxycytidine
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
- Product code: starshine_CAS51549-29-2
- Purity/Analytical Methods: >99.0%
51549-29-2 / 4-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidin-2-one
Basic Information
CAS
51549-29-2
Multi CAS
Yes
Molecular Formula
C21H41N3O4Si2
Molecular Weight
455.700000
Exact Mass
455.263560
InChI
InChI=1S/C21H41N3O4Si2/c1-20(2,3)29(7,8)26-14-16-15(28-30(9,10)21(4,5)6)13-18(27-16)24-12-11-17(22)23-19(24)25/h11-12,15-16,18H,13-14H2,1-10H3,(H2,22,23,25)/t15-,16+,18+/m0/s1
InChIKey
CKWHPVGBUBYJIT-LZLYRXPVSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.81
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
1
Molar refractivity
126.66
TPSA
88.6
LogP / Solubility
WLOGP
4.53
MLOGP
4.01
XLogP3
4.53
Consensus LogP
4.36
Log S (ESOL)
-5.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.1
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-2.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
Customers Also Viewed
-
![CAS 51549-30-5 Adenosine, 2′-deoxy-5′-O-[(1,1-dimethylethyl)dimethylsilyl]- molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Adenosine, 2′-deoxy-5′-O-[(1,1-dimethylethyl)dimethylsilyl]-
- CAS RN: 51549-30-5
- Product Code: SSC-158444
-
3′-O-(tert-butyldiMethylsilyl)-2′-deoxyadenosine
- CAS RN: 51549-31-6
- Product Code: SSC-158445
-
9-((2R,4S,5R)-4-((tert-Butyldimethylsilyl)oxy)-5-(((tert-butyldimethylsilyl)oxy)methyl)tetrahydrofuran-2-yl)-9H-purin-6-amine
- CAS RN: 51549-32-7
- Product Code: starshine_CAS51549-32-7
- Purity/Analytical method: >99.0%
-
5′-O-TBDMS-2′-deoxyguanosine
- CAS RN: 51549-33-8
- Product Code: starshine_CAS51549-33-8
- Purity/Analytical method: >99.0%
-
N6-BENZOYL-5′-O-TERT-BUTYLDIMETHYLSILYL-2′-DEOXYADENOSINE
- CAS RN: 51549-39-4
- Product Code: starshine_CAS51549-39-4
- Purity/Analytical method: >99.0%
-
Adenosine,N-benzoyl-2′-deoxy-3′-o-[(1,1-dimethylethyl)dimethylsilyl]-
- CAS RN: 51549-40-7
- Product Code: SSC-158446
![CAS 51549-30-5 Adenosine, 2′-deoxy-5′-O-[(1,1-dimethylethyl)dimethylsilyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/51549-30-5.gif)
![CAS 51549-40-7 Adenosine,N-benzoyl-2′-deoxy-3′-o-[(1,1-dimethylethyl)dimethylsilyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/51549-40-7.gif)