CAS RN: 60729-91-1
Trimethoprim Related Compound A (25 mg) (4-amino-5-(3,4,5-trimethoxybenzyl)pyrimidin-2-ol) (AS)
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250520 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS60729-91-1
- Purity/Analytical Methods: >99.0%
60729-91-1 / 6-amino-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-2-one
Basic Information
CAS
60729-91-1
Multi CAS
No
Molecular Formula
C14H17N3O4
Molecular Weight
291.300000
Exact Mass
291.121906
InChI
InChI=1S/C14H17N3O4/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-16-14(18)17-13(9)15/h5-7H,4H2,1-3H3,(H3,15,16,17,18)
InChIKey
OYDLMYVTTNXWRD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
78.17
TPSA
99.46
LogP / Solubility
WLOGP
0.97
MLOGP
0.86
XLogP3
0.7
Consensus LogP
0.84
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately 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)
-3.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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