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CAS 340162-93-8 N4-Benzoyl-2′-O-(2-ethoxyethyl)-5-methylcytidine molecular structure lightbox
CAS RN: 340162-93-8

N4-Benzoyl-2′-O-(2-ethoxyethyl)-5-methylcytidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260223 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS340162-93-8
  • Purity/Analytical Methods: >99.0%
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340162-93-8 / N-[1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide

Standard CAS: 340162-93-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
340162-93-8
Multi CAS
Yes
Molecular Formula
C20H25N3O7
Molecular Weight
419.400000
Exact Mass
419.169250
InChI
InChI=1S/C20H25N3O7/c1-12-10-23(19-16(29-9-8-28-2)15(25)14(11-24)30-19)20(27)22-17(12)21-18(26)13-6-4-3-5-7-13/h3-7,10,14-16,19,24-25H,8-9,11H2,1-2H3,(H,21,22,26,27)/t14-,15-,16-,19-/m1/s1
InChIKey
LGGHYGUGIGYDFX-YKTARERQSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
8
H-bond acceptors
9
H-bond donors
3
Molar refractivity
106.25
TPSA
132.14

LogP / Solubility

WLOGP
0.09
MLOGP
0.1
XLogP3
1.1
Consensus LogP
0.43
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
Class (SILICOS-IT)
Poorly 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)
-5.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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