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CAS 58479-79-1 5-HydroxyMethyl-2-thiouridine molecular structure lightbox
CAS RN: 58479-79-1

5-HydroxyMethyl-2-thiouridine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250514 1mg / 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS58479-79-1
  • Purity/Analytical Methods: >99.0%
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58479-79-1 / 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(hydroxymethyl)-2-sulfanylidenepyrimidin-4-one

Standard CAS: 58479-79-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58479-79-1
Multi CAS
Yes
Molecular Formula
C10H14N2O6S
Molecular Weight
290.300000
Exact Mass
290.057257
InChI
InChI=1S/C10H14N2O6S/c13-2-4-1-12(10(19)11-8(4)17)9-7(16)6(15)5(3-14)18-9/h1,5-7,9,13-16H,2-3H2,(H,11,17,19)/t5-,6-,7-,9-/m1/s1
InChIKey
CXVAUSNJFDPWBH-JXOAFFINSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
8
H-bond donors
5
Molar refractivity
64.82
TPSA
127.94

LogP / Solubility

WLOGP
-1.99
MLOGP
-1.74
XLogP3
-2
Consensus LogP
-1.91
Log S (ESOL)
-0.42
Class (ESOL)
Very soluble
Log S (Ali)
-0.5
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.25
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5

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