![CAS 112897-99-1 5′-O-[Bis(4-methoxyphenyl)phenylmethyl]cytidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/112897-99-1.gif)
CAS RN: 112897-99-1
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]cytidine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250108 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS112897-99-1
- Purity/Analytical Methods: >99.0%
112897-99-1 / 4-amino-1-[(2R,3R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one
5'-O-(4,4'-dimethoxytrityl)-cytidine | Cytidine,5'-O-[bis(4-methoxyphenyl)phenylmethyl]- (9CI) | 4-Amino-1-[(2R,3R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one
Basic Information
CAS
112897-99-1
Multi CAS
Yes
Molecular Formula
C30H31N3O7
Molecular Weight
545.600000
Exact Mass
545.216200
SMILES
COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=NC5=O)N)O)O
InChI
InChI=1S/C30H31N3O7/c1-37-22-12-8-20(9-13-22)30(19-6-4-3-5-7-19,21-10-14-23(38-2)15-11-21)39-18-24-26(34)27(35)28(40-24)33-17-16-25(31)32-29(33)36/h3-17,24,26-28,34-35H,18H2,1-2H3,(H2,31,32,36)/t24-,26-,27-,28-/m1/s1
InChIKey
SUENBDLQORXVMC-YULOIDQLSA-N
Synonyms
5'-O-(4,4'-dimethoxytrityl)-cytidine
Cytidine,5'-O-[bis(4-methoxyphenyl)phenylmethyl]- (9CI)
4-Amino-1-[(2R,3R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one
5'-O-DMT-cytidine
4-Amino-1-((2R,3R,4S,5R)-5-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)pyrimidin-2(1H)-one
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
24
Fraction Csp3
0.27
Rotatable bonds
9
H-bond acceptors
10
H-bond donors
3
Molar refractivity
147.1
TPSA
138.29
LogP / Solubility
WLOGP
2.47
MLOGP
2.22
XLogP3
2.8
Consensus LogP
2.5
Log S (ESOL)
-4.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.34
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
No
Log Kp (skin permeation)
-4.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7
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