CAS RN: 581076-14-4

5′-O-Levulinoylthymidine 3′-CE phosphoramidite

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250724 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS581076-14-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

581076-14-4 / [(2R,3S,5R)-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-oxopentanoate

Standard CAS: 581076-14-4 Multi CAS: Yes

Basic Information

CAS
581076-14-4
Multi CAS
Yes
Molecular Formula
C24H37N4O8P
Molecular Weight
540.500000
Exact Mass
540.234901
InChI
InChI=1S/C24H37N4O8P/c1-15(2)28(16(3)4)37(34-11-7-10-25)36-19-12-21(27-13-17(5)23(31)26-24(27)32)35-20(19)14-33-22(30)9-8-18(6)29/h13,15-16,19-21H,7-9,11-12,14H2,1-6H3,(H,26,31,32)/t19-,20+,21+,37?/m0/s1
InChIKey
DWSOOIGQPYJEPR-QCNXBGJTSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
6
Fraction Csp3
0.71
Rotatable bonds
14
H-bond acceptors
11
H-bond donors
1
Molar refractivity
135.55
TPSA
152.95

LogP / Solubility

WLOGP
2.71
MLOGP
2.42
XLogP3
0.7
Consensus LogP
1.94
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.1
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-4.1

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

Get In Touch

Contact Us