CAS RN: 1123-95-1
5-HYDROXYMETHYLCYTOSINE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250802 | 50mg / 250mg / 1g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS1123-95-1
- Purity/Analytical Methods: >99.0%
1123-95-1 / 6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one
5-Hydroxymethylcytosine | 5-(hydroxymethyl)cytosine | 4-Amino-5-(hydroxymethyl)-2(1H)-pyrimidinone
Basic Information
CAS
1123-95-1
Multi CAS
Yes
Molecular Formula
C5H7N3O2
Molecular Weight
141.130000
Exact Mass
141.053826
SMILES
C1=NC(=O)NC(=C1CO)N
InChI
InChI=1S/C5H7N3O2/c6-4-3(2-9)1-7-5(10)8-4/h1,9H,2H2,(H3,6,7,8,10)
InChIKey
RYVNIFSIEDRLSJ-UHFFFAOYSA-N
Synonyms
5-Hydroxymethylcytosine
5-(hydroxymethyl)cytosine
4-Amino-5-(hydroxymethyl)-2(1H)-pyrimidinone
6CD2RLN1NK
2(1H)-Pyrimidinone, 4-amino-5-(hydroxymethyl)-
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
35.19
TPSA
92
LogP / Solubility
WLOGP
-1.16
MLOGP
-1.02
XLogP3
-1.5
Consensus LogP
-1.23
Log S (ESOL)
-0.36
Class (ESOL)
Very soluble
Log S (Ali)
0.12
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.26
Class (SILICOS-IT)
Highly 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)
-4.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
