CAS RN: 85840-23-9
2-AMINO-4-CHLORO-6-OXO-1,6-DIHYDROPYRIMIDINE-5-CARBONITRILE
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: starshine_CAS85840-23-9
- Purity/Analytical Methods: >99.0%
85840-23-9 / 2-amino-4-chloro-6-oxo-5H-pyrimidine-5-carbonitrile
Basic Information
CAS
85840-23-9
Multi CAS
Yes
Molecular Formula
C5H3CLN4O
Molecular Weight
170.560000
Exact Mass
169.999538
InChI
InChI=1S/C5H3ClN4O/c6-3-2(1-7)4(11)10-5(8)9-3/h(H3,8,9,10,11)
InChIKey
MCXNJBLPLAZMEY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
39.02
TPSA
91.6
LogP / Solubility
WLOGP
-0.38
MLOGP
-0.34
XLogP3
-0.2
Consensus LogP
-0.31
Log S (ESOL)
-0.66
Class (ESOL)
Very soluble
Log S (Ali)
-0.68
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.45
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
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)
-4.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
9-Acridinethiol
- CAS RN: 85842-92-8
- Product Code: starshine_CAS85842-92-8
- Purity/Analytical method: >99.0%
-
4-([[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL]AMINO)BUTANOIC ACID
- CAS RN: 85844-93-5
- Product Code: SSC-194487
-
4-{[(4-nitrophenyl)sulfonyl]amino}butanoic acid
- CAS RN: 85844-99-1
- Product Code: SSC-194488
-
(3aR,6R,6aR)-6-(benzyloxyMethyl)-2,2-diMethyldihydrofuro[3,4-d][1,3]dioxol-4(3aH)-one
- CAS RN: 85846-80-6
- Product Code: SSC-194491
-
1-(4-HYDROXYBENZOYL)-4-METHYL-PIPERAZINE
- CAS RN: 85858-94-2
- Product Code: starshine_CAS85858-94-2
- Purity/Analytical method: >99.0%
-
![CAS 85844-93-5 4-([[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL]AMINO)BUTANOIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2190611.gif)
![CAS 85844-99-1 4-{[(4-nitrophenyl)sulfonyl]amino}butanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB41751073.gif)
![CAS 85846-80-6 (3aR,6R,6aR)-6-(benzyloxyMethyl)-2,2-diMethyldihydrofuro[3,4-d][1,3]dioxol-4(3aH)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/85846-80-6.gif)
