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CAS 24558-91-6 URIDINE 5′-MONOPHOSPHOMORPHOLIDATE 4-MORPHOLINE-N,N’-DICYCLOHEXYLCARBOXAMIDINE SALT molecular structure lightbox
CAS RN: 24558-91-6

URIDINE 5′-MONOPHOSPHOMORPHOLIDATE 4-MORPHOLINE-N,N’-DICYCLOHEXYLCARBOXAMIDINE SALT

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250820 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS24558-91-6
  • Purity/Analytical Methods: >99.0%
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24558-91-6 / N,N'-dicyclohexylmorpholine-4-carboximidamide;[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid

Standard CAS: 24558-91-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24558-91-6
Multi CAS
No
Molecular Formula
C30H51N6O10P
Molecular Weight
686.700000
Exact Mass
686.340429
SMILES
C1CCC(CC1)NC(=NC2CCCCC2)N3CCOCC3.C1COCCN1P(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O
InChI
InChI=1S/C17H31N3O.C13H20N3O9P/c1-3-7-15(8-4-1)18-17(20-11-13-21-14-12-20)19-16-9-5-2-6-10-16;17-9-1-2-16(13(20)14-9)12-11(19)10(18)8(25-12)7-24-26(21,22)15-3-5-23-6-4-15/h15-16H,1-14H2,(H,18,19);1-2,8,10-12,18-19H,3-7H2,(H,21,22)(H,14,17,20)/t;8-,10-,11-,12-/m.1/s1
InChIKey
RUAYLFCHPJYFJL-HVVPPSBSSA-N

Computed Properties

Structural Parameters

Heavy atom count
47
Aromatic heavy atom count
6
Fraction Csp3
0.83
Rotatable bonds
7
H-bond acceptors
11
H-bond donors
5
Molar refractivity
172.12
TPSA
200.41

LogP / Solubility

WLOGP
0.53
MLOGP
0.53
XLogP3
0.53
Consensus LogP
0.53
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.41
Class (SILICOS-IT)
Slightly 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)
-6.53

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
8

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