CAS RN: 76054-81-4
3′-O-(4,4′-DIMETHOXYTRITYL)-THYMIDINE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250103 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS76054-81-4
- Purity/Analytical Methods: >99.0%
76054-81-4 / 1-[(2R,4S,5R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Basic Information
CAS
76054-81-4
Multi CAS
Yes
Molecular Formula
C31H32N2O7
Molecular Weight
544.600000
Exact Mass
544.220951
InChI
InChI=1S/C31H32N2O7/c1-20-18-33(30(36)32-29(20)35)28-17-26(27(19-34)39-28)40-31(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/h4-16,18,26-28,34H,17,19H2,1-3H3,(H,32,35,36)/t26-,27+,28+/m0/s1
InChIKey
UDDSFNVDTHTTMK-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
8
H-bond donors
2
Molar refractivity
148.86
TPSA
112.01
LogP / Solubility
WLOGP
3.52
MLOGP
3.14
XLogP3
3.8
Consensus LogP
3.49
Log S (ESOL)
-5.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.2
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.54
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
-
-
1-Dehydro-6-gingerdione
- CAS RN: 76060-35-0
- Product Code: starshine_CAS76060-35-0
- Purity/Analytical method: >99.0%
-
-
-
-
