CAS RN: 107577-09-3
2,4-Pyrimidinediol, 6-chloro- (9CI)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250919 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS107577-09-3
- Purity/Analytical Methods: >99.0%
107577-09-3 / 6-chloro-1H-pyrimidine-2,4-dione
6-Chlorouracil | NSC-43265 | C5DTQ2CL5H
Basic Information
CAS
107577-09-3
Multi CAS
No
Molecular Formula
C4H3ClN2O2
Molecular Weight
146.530000
Exact Mass
145.988305
SMILES
C1=C(NC(=O)NC1=O)Cl
InChI
InChI=1S/C4H3ClN2O2/c5-2-1-3(8)7-4(9)6-2/h1H,(H2,6,7,8,9)
InChIKey
PKUFNWPSFCOSLU-UHFFFAOYSA-N
Synonyms
6-Chlorouracil
NSC-43265
C5DTQ2CL5H
NSC-210419
DTXSID70195396
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.69
TPSA
65.72
LogP / Solubility
WLOGP
-0.28
MLOGP
-0.26
XLogP3
-0.3
Consensus LogP
-0.28
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-0.56
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.38
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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