CS-1069197
3-(2,4-Dioxotetrahydropyrimidin-1(2H)-yl)-4-(4H-1,2,4-triazol-4-yl)benzoic acid
Manufacturer: ChemScene
CAS Number: 2703773-77-5
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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
C₁₃H₁₁N₅O₄
Molecular Weight
301.26
Synonyms
None
SMILES
O=C(O)C1=CC=C(C(=C1)N2C(=O)NC(=O)CC2)N3C=NN=C3
Tpsa
117.42
Logp
0.4118
H Acceptors
6
H Donors
2
Rotatable Bonds
3
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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: C₁₃H₁₁N₅O₄
Molecular Weight: 301.26
Synonyms: None
SMILES: O=C(O)C1=CC=C(C(=C1)N2C(=O)NC(=O)CC2)N3C=NN=C3
Tpsa: 117.42
Logp: 0.4118
H Acceptors: 6
H Donors: 2
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:
C₁₃H₁₁N₅O₄
Molecular Weight:
301.26
Synonyms:
None
SMILES:
O=C(O)C1=CC=C(C(=C1)N2C(=O)NC(=O)CC2)N3C=NN=C3
Tpsa:
117.42
Logp:
0.4118
H Acceptors:
6
H Donors:
2
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: C₁₂H₁₁FN₂O₄
Molecular Weight: 266.23
Synonyms: None
SMILES: O=C(O)C=1C=C(C(F)=CC1C)N2C(=O)NC(=O)CC2
Tpsa: 86.71
Logp: 1.27862
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₁FN₂O₄
Molecular Weight:
266.23
Synonyms:
None
SMILES:
O=C(O)C=1C=C(C(F)=CC1C)N2C(=O)NC(=O)CC2
Tpsa:
86.71
Logp:
1.27862
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₆N₂O₅
Molecular Weight: 292.29
Synonyms: None
SMILES: O=C(O)C1=CC=C(OCCC)C(=C1)N2C(=O)NC(=O)CC2
Tpsa: 95.94
Logp: 1.6199
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₆N₂O₅
Molecular Weight:
292.29
Synonyms:
None
SMILES:
O=C(O)C1=CC=C(OCCC)C(=C1)N2C(=O)NC(=O)CC2
Tpsa:
95.94
Logp:
1.6199
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₆N₂OS
Molecular Weight: 176.28
Synonyms: None
SMILES: O=S(=N)(C)CC1(C)CNCC1
Tpsa: 52.95
Logp: 0.66257
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₆N₂OS
Molecular Weight:
176.28
Synonyms:
None
SMILES:
O=S(=N)(C)CC1(C)CNCC1
Tpsa:
52.95
Logp:
0.66257
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
2