[email protected]
CAS 987-78-0 Cytidine 5′-Diphosphocholine molecular structure lightbox
CAS RN: 987-78-0

Cytidine 5′-Diphosphocholine

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260319 100mg In stock Shanghai Inquiry
Batchno.20250429 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251010 250mg In stock Shanghai Inquiry
Batchno.20250402 25g Out of stock Inquiry
Batchno.20250729 5g In stock Tianjin, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260429 200mg / 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Hebei, Shandong Inquiry
  • Product code: ICTC3438
  • Purity/Analytical Methods: >98.0%(HPLC)
GET A QUOTE

987-78-0 / [[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 2-(trimethylazaniumyl)ethyl phosphate

Standard CAS: 987-78-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
987-78-0
Multi CAS
Yes
Molecular Formula
C14H26N4O11P2
Molecular Weight
488.320000
Exact Mass
488.107332
InChI
InChI=1S/C14H26N4O11P2/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25)/t9-,11-,12-,13-/m1/s1
InChIKey
RZZPDXZPRHQOCG-OJAKKHQRSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
6
Fraction Csp3
0.71
Rotatable bonds
10
H-bond acceptors
13
H-bond donors
4
Molar refractivity
102.15
TPSA
215.72

LogP / Solubility

WLOGP
-2.23
MLOGP
-1.93
XLogP3
-4
Consensus LogP
-2.72
Log S (ESOL)
-0.95
Class (ESOL)
Very soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.18
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

Customers Also Viewed

Get In Touch

Contact Us