CS-0531528
2,6-Damino-5-ethyl-5-phenylpyrimidin-4(5H)-one Phenobarbital Impurity
Manufacturer: ChemScene
CAS Number: 69125-70-8
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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
C₁₂H₁₄N₄O
Molecular Weight
230.27
Synonyms
(5RS)-5-Ethyl-2,6-diimino-5-phenyltetrahydropyrimidin-4(1H)-one
SMILES
O=C1N=C(N)N=C(C1(CC)C2=CC=CC=C2)N
Tpsa
93.83
Logp
0.5465
H Acceptors
4
H Donors
2
Rotatable Bonds
2
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SAFETY INFORMATION
Pictograms
Signal Word
Danger
UN Number
2811
Class
6.1
Packing Group
Ⅲ
Hazard Statements
Precautionary Statements
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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: C₁₂H₁₄N₄O
Molecular Weight: 230.27
Synonyms: (5RS)-5-Ethyl-2,6-diimino-5-phenyltetrahydropyrimidin-4(1H)-one
SMILES: O=C1N=C(N)N=C(C1(CC)C2=CC=CC=C2)N
Tpsa: 93.83
Logp: 0.5465
H Acceptors: 4
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:
C₁₂H₁₄N₄O
Molecular Weight:
230.27
Synonyms:
(5RS)-5-Ethyl-2,6-diimino-5-phenyltetrahydropyrimidin-4(1H)-one
SMILES:
O=C1N=C(N)N=C(C1(CC)C2=CC=CC=C2)N
Tpsa:
93.83
Logp:
0.5465
H Acceptors:
4
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: C₁₂H₁₃N₃O₂
Molecular Weight: 231.25
Synonyms: (5RS)-5-Ethyl-6-imino-5-phenyldihydropyrimidine-2,4(1H,3H)-dione
SMILES: O=C1N=C(C(C2=CC=CC=C2)(CC)C(N1)=O)N
Tpsa: 84.55
Logp: 0.9414
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:
C₁₂H₁₃N₃O₂
Molecular Weight:
231.25
Synonyms:
(5RS)-5-Ethyl-6-imino-5-phenyldihydropyrimidine-2,4(1H,3H)-dione
SMILES:
O=C1N=C(C(C2=CC=CC=C2)(CC)C(N1)=O)N
Tpsa:
84.55
Logp:
0.9414
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: C₅₁H₆₆N₂O₁₂
Molecular Weight: 899.08
Synonyms: 1,5-pentanediyl bis[1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate]
SMILES: O=C(CCN1CCC2=CC(OC)=C(C=C2C1CC3=CC=C(C(OC)=C3)OC)OC)OCCCCCOC(CCN4CCC5=CC(OC)=C(C=C5C4CC6=CC=C(C(OC)=C6)OC)OC)=O
Tpsa: 132.92
Logp: 7.7763
H Acceptors: 14
H Donors: 0
Rotatable Bonds: 24
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₁H₆₆N₂O₁₂
Molecular Weight:
899.08
Synonyms:
1,5-pentanediyl bis[1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate]
SMILES:
O=C(CCN1CCC2=CC(OC)=C(C=C2C1CC3=CC=C(C(OC)=C3)OC)OC)OCCCCCOC(CCN4CCC5=CC(OC)=C(C=C5C4CC6=CC=C(C(OC)=C6)OC)OC)=O
Tpsa:
132.92
Logp:
7.7763
H Acceptors:
14
H Donors:
0
Rotatable Bonds:
24
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₂ClNO₄
Molecular Weight: 375.85
Synonyms: Methyl 2-[4-[2-[(4-Chloro-benzoyl)amino]ethyl]phenoxy]-2-methylpropanoate
SMILES: O=C(C(C)(C)OC1=CC=C(CCNC(C2=CC=C(C=C2)Cl)=O)C=C1)OC
Tpsa: 64.63
Logp: 3.6429
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₂ClNO₄
Molecular Weight:
375.85
Synonyms:
Methyl 2-[4-[2-[(4-Chloro-benzoyl)amino]ethyl]phenoxy]-2-methylpropanoate
SMILES:
O=C(C(C)(C)OC1=CC=C(CCNC(C2=CC=C(C=C2)Cl)=O)C=C1)OC
Tpsa:
64.63
Logp:
3.6429
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
7