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CAS 1092460-40-6 methyl 3-(1,6-dihydro-4-hydroxy-6-oxopyrimidin-5-yl)butanoate molecular structure lightbox
CAS RN: 1092460-40-6

methyl 3-(1,6-dihydro-4-hydroxy-6-oxopyrimidin-5-yl)butanoate

  • Product code: SSC-010449
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g, 25g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 7
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1092460-40-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 3 In Stock Shanghai Inquiry
0.25g >95% 3 In Stock Hong Kong Inquiry
1g >95% 3 In Stock Shanghai Inquiry
5g >95% 3 In Stock Shenzhen Inquiry
10g >95% 3 In Stock Hong Kong Inquiry
25g >95% 3 In Stock Shanghai Inquiry
100g >95% 3 In Stock Shenzhen Inquiry

1092460-40-6 / methyl 3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)butanoate

METHYL 3-(4,6-DIHYDROXYPYRIMIDIN-5-YL)BUTANOATE | MFCD11501883 | Methyl 3-(4,6-Dihydroxy-5-pyrimidyl)butanoate

Standard CAS: 1092460-40-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1092460-40-6
Multi CAS
No
Molecular Formula
C9H12N2O4
Molecular Weight
212.200000
Exact Mass
212.079707
SMILES
CC(CC(=O)OC)C1=C(N=CNC1=O)O
InChI
InChI=1S/C9H12N2O4/c1-5(3-6(12)15-2)7-8(13)10-4-11-9(7)14/h4-5H,3H2,1-2H3,(H2,10,11,13,14)
InChIKey
XLADYKVTZFVWDT-UHFFFAOYSA-N
Synonyms
METHYL 3-(4,6-DIHYDROXYPYRIMIDIN-5-YL)BUTANOATE MFCD11501883 Methyl 3-(4,6-Dihydroxy-5-pyrimidyl)butanoate methyl 3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)butanoate (R)-methyl 3-(4,6-dihydroxypyrimidin-5-yl)butanoate

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
51.57
TPSA
92.28

LogP / Solubility

WLOGP
0.14
MLOGP
0.13
XLogP3
-0.4
Consensus LogP
-0.04
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
Class (SILICOS-IT)
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)
-3.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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