![CAS 176755-83-2 Cytidine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-5-methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/176755-83-2.gif)
CAS RN: 176755-83-2
Cytidine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-5-methyl-
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.20251020 | 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS176755-83-2
- Purity/Analytical Methods: >99.0%
176755-83-2 / 4-amino-1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidin-2-one
Basic Information
CAS
176755-83-2
Multi CAS
No
Molecular Formula
C31H33N3O6
Molecular Weight
543.600000
Exact Mass
543.236936
SMILES
CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O
InChI
InChI=1S/C31H33N3O6/c1-20-18-34(30(36)33-29(20)32)28-17-26(35)27(40-28)19-39-31(21-7-5-4-6-8-21,22-9-13-24(37-2)14-10-22)23-11-15-25(38-3)16-12-23/h4-16,18,26-28,35H,17,19H2,1-3H3,(H2,32,33,36)/t26-,27+,28+/m0/s1
InChIKey
COZLXEMWXGXVLK-UPRLRBBYSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
24
Fraction Csp3
0.29
Rotatable bonds
9
H-bond acceptors
9
H-bond donors
2
Molar refractivity
150.44
TPSA
118.06
LogP / Solubility
WLOGP
3.81
MLOGP
3.39
XLogP3
3.3
Consensus LogP
3.5
Log S (ESOL)
-5.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.43
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-3.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5
Customers Also Viewed
-
(R,R)-(-)-N,N’-BIS(3,5-DI-TERT-BUTYLSALICYLIDENE)-1,2-CYCLOHEXANEDIAMINO-COBALT(II)
- CAS RN: 176763-62-5
- Product Code: SSC-077357
-
-
-
4(1H)-Pyrimidinimine, (Z)- (9CI)
- CAS RN: 176799-58-9
- Product Code: starshine_CAS176799-58-9
- Purity/Analytical method: >99.0%
-
BENZENEETHANIMIDAMIDE, N-HYDROXY-4-(TRIFLUOROMETHYL)-
- CAS RN: 176860-56-3
- Product Code: SSC-077378
-
2-(3,4-DICHLORO-PHENYL)-N-HYDROXY-ACETAMIDINE
- CAS RN: 176860-57-4
- Product Code: SSC-077379
