CS-0012465
3-Hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanenitrile compound with (2S,3S)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanenitrile 1:1
Manufacturer: ChemScene
CAS Number: None
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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
C₂₀H₂₂F₂N₈O₂
Molecular Weight
444.44
Synonyms
None
SMILES
N#CC(C)C(O)CN1N=CN=C1.N#C[C@H](C)[C@](O)(C2=CC(F)=CC=C2F)CN3N=CN=C3
Tpsa
149.46
Logp
1.40246
H Acceptors
10
H Donors
2
Rotatable Bonds
7
Other Options
...
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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: C₂₀H₂₂F₂N₈O₂
Molecular Weight: 444.44
Synonyms: None
SMILES: N#CC(C)C(O)CN1N=CN=C1.N#C[C@H](C)[C@](O)(C2=CC(F)=CC=C2F)CN3N=CN=C3
Tpsa: 149.46
Logp: 1.40246
H Acceptors: 10
H Donors: 2
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:
C₂₀H₂₂F₂N₈O₂
Molecular Weight:
444.44
Synonyms:
None
SMILES:
N#CC(C)C(O)CN1N=CN=C1.N#C[C@H](C)[C@](O)(C2=CC(F)=CC=C2F)CN3N=CN=C3
Tpsa:
149.46
Logp:
1.40246
H Acceptors:
10
H Donors:
2
Rotatable Bonds:
7
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₇NO₃S
Molecular Weight: 267.34
Synonyms: (R)-AGN1135 mesylate (racemic); TVP1012 mesylate (racemic)
SMILES: C#CCNC1CCC2=C1C=CC=C2.CS(=O)(O)=O
Tpsa: 66.4
Logp: 1.4007
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₇NO₃S
Molecular Weight:
267.34
Synonyms:
(R)-AGN1135 mesylate (racemic); TVP1012 mesylate (racemic)
SMILES:
C#CCNC1CCC2=C1C=CC=C2.CS(=O)(O)=O
Tpsa:
66.4
Logp:
1.4007
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: C₁₉H₂₄F₃N₃O₄
Molecular Weight: 415.41
Synonyms: Carbamic acid, N-[1-[2-[[3-(trifluoromethyl)benzoyl]amino]acetyl]-3-pyrrolidinyl]-, 1,1-dimethylethyl ester
SMILES: O=C(NCC(N1CC(NC(OC(C)(C)C)=O)CC1)=O)C2=CC=CC(C(F)(F)F)=C2
Tpsa: 87.74
Logp: 2.5608
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:
C₁₉H₂₄F₃N₃O₄
Molecular Weight:
415.41
Synonyms:
Carbamic acid, N-[1-[2-[[3-(trifluoromethyl)benzoyl]amino]acetyl]-3-pyrrolidinyl]-, 1,1-dimethylethyl ester
SMILES:
O=C(NCC(N1CC(NC(OC(C)(C)C)=O)CC1)=O)C2=CC=CC(C(F)(F)F)=C2
Tpsa:
87.74
Logp:
2.5608
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
4
Purity: 98%
MDL No: MFCD00242755
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₂₃ClN₂
Molecular Weight: 314.85
Synonyms: Chlorimipramine; G-34586; NSC-169865
SMILES: CN(C)CCCN1C2=CC(Cl)=CC=C2CCC3=CC=CC=C31
Tpsa: 6.48
Logp: 4.5284
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
MFCD00242755
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₂₃ClN₂
Molecular Weight:
314.85
Synonyms:
Chlorimipramine; G-34586; NSC-169865
SMILES:
CN(C)CCCN1C2=CC(Cl)=CC=C2CCC3=CC=CC=C31
Tpsa:
6.48
Logp:
4.5284
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
4