CAS RN: 3650-93-9
5-CARBOXYCYTOSINE
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: starshine_CAS3650-93-9
- Purity/Analytical Methods: >99.0%
3650-93-9 / 6-amino-2-oxo-1H-pyrimidine-5-carboxylic acid
Basic Information
CAS
3650-93-9
Multi CAS
Yes
Molecular Formula
C5H5N3O3
Molecular Weight
155.110000
Exact Mass
155.033091
InChI
InChI=1S/C5H5N3O3/c6-3-2(4(9)10)1-7-5(11)8-3/h1H,(H,9,10)(H3,6,7,8,11)
InChIKey
BLQMCTXZEMGOJM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
36.23
TPSA
109.07
LogP / Solubility
WLOGP
-0.95
MLOGP
-0.84
XLogP3
-0.9
Consensus LogP
-0.9
Log S (ESOL)
-0.54
Class (ESOL)
Very soluble
Log S (Ali)
-0.15
Class (Ali)
Very soluble
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)
-4.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
4-METHYL-5-PYRIDIN-4-YL-4H-[1,2,4]TRIAZOLE-3-THIOL
- CAS RN: 3652-32-2
- Product Code: SSC-143704
-
-
.gif)
![CAS 3652-32-2 4-METHYL-5-PYRIDIN-4-YL-4H-[1,2,4]TRIAZOLE-3-THIOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/3652-32-2.gif)
