CS-0579460
2-((4-Isopropyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)propanoic acid
Manufacturer: ChemScene
CAS Number: 887040-74-6
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₀H₁₄N₂O₃S
Molecular Weight
242.29
Synonyms
2-(4-Isopropyl-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-propionic acid
SMILES
CC(C)C1=CC(=O)NC(=N1)SC(C)C(=O)O
Tpsa
83.05
Logp
1.4585
H Acceptors
4
H Donors
2
Rotatable Bonds
4
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₄N₂O₃S
Molecular Weight: 242.29
Synonyms: 2-(4-Isopropyl-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-propionic acid
SMILES: CC(C)C1=CC(=O)NC(=N1)SC(C)C(=O)O
Tpsa: 83.05
Logp: 1.4585
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₄N₂O₃S
Molecular Weight:
242.29
Synonyms:
2-(4-Isopropyl-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-propionic acid
SMILES:
CC(C)C1=CC(=O)NC(=N1)SC(C)C(=O)O
Tpsa:
83.05
Logp:
1.4585
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₁FN₂O₃S
Molecular Weight: 282.29
Synonyms: None
SMILES: COC1=C(C=C(C=C1)C2=C(SC(=N2)N)CC(=O)O)F
Tpsa: 85.44
Logp: 2.1671
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₁FN₂O₃S
Molecular Weight:
282.29
Synonyms:
None
SMILES:
COC1=C(C=C(C=C1)C2=C(SC(=N2)N)CC(=O)O)F
Tpsa:
85.44
Logp:
2.1671
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₄N₂O₃
Molecular Weight: 292.37
Synonyms: 4-(3-HYDROXYPHENYL)-1,4-DIAZEPANE, N1-BOC PROTECTED 95TERT-BUTYL 4-(3-HYDROXYPHENYL)PERHYDRO-1,4-DIAZEPINE-1-CARBOXYLATE
SMILES: CC(C)(C)OC(=O)N1CCCN(CC1)C2=CC(=CC=C2)O
Tpsa: 53.01
Logp: 2.8394
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₄N₂O₃
Molecular Weight:
292.37
Synonyms:
4-(3-HYDROXYPHENYL)-1,4-DIAZEPANE, N1-BOC PROTECTED 95TERT-BUTYL 4-(3-HYDROXYPHENYL)PERHYDRO-1,4-DIAZEPINE-1-CARBOXYLATE
SMILES:
CC(C)(C)OC(=O)N1CCCN(CC1)C2=CC(=CC=C2)O
Tpsa:
53.01
Logp:
2.8394
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₉N₃O₂
Molecular Weight: 249.31
Synonyms: None
SMILES: CCOC(=O)C1CCN(CC1)C2=NC(=CN=C2)C
Tpsa: 55.32
Logp: 1.56452
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₉N₃O₂
Molecular Weight:
249.31
Synonyms:
None
SMILES:
CCOC(=O)C1CCN(CC1)C2=NC(=CN=C2)C
Tpsa:
55.32
Logp:
1.56452
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
3