CS-0120304
tert-Butyl ((1S,2R)-2-((S)-(1-benzylpiperidin-4-yl)(cyano)(3-fluorophenyl)methyl)cyclopentyl)carbamate
Manufacturer: ChemScene
CAS Number: 2173582-10-8
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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
C₃₀H₃₈FN₃O₂
Molecular Weight
491.64
Synonyms
None
SMILES
FC1=CC([C@]([C@@]2([H])CCC[C@@H]2NC(OC(C)(C)C)=O)(C#N)C3CCN(CC4=CC=CC=C4)CC3)=CC=C1
Tpsa
65.36
Logp
6.19268
H Acceptors
4
H Donors
1
Rotatable Bonds
6
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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: C₃₀H₃₈FN₃O₂
Molecular Weight: 491.64
Synonyms: None
SMILES: FC1=CC([C@]([C@@]2([H])CCC[C@@H]2NC(OC(C)(C)C)=O)(C#N)C3CCN(CC4=CC=CC=C4)CC3)=CC=C1
Tpsa: 65.36
Logp: 6.19268
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₀H₃₈FN₃O₂
Molecular Weight:
491.64
Synonyms:
None
SMILES:
FC1=CC([C@]([C@@]2([H])CCC[C@@H]2NC(OC(C)(C)C)=O)(C#N)C3CCN(CC4=CC=CC=C4)CC3)=CC=C1
Tpsa:
65.36
Logp:
6.19268
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
6
Purity: 98+%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₆ClNO₂
Molecular Weight: 205.68
Synonyms: (E)-4-(piperidin-1-yl)but-2-enoic acid hydrochloride
SMILES: O=C(O)/C=C/CN1CCCCC1.[H]Cl
Tpsa: 40.54
Logp: 1.5349
H Acceptors: 2
H Donors: 1
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:
C₉H₁₆ClNO₂
Molecular Weight:
205.68
Synonyms:
(E)-4-(piperidin-1-yl)but-2-enoic acid hydrochloride
SMILES:
O=C(O)/C=C/CN1CCCCC1.[H]Cl
Tpsa:
40.54
Logp:
1.5349
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
3
Purity: 97%
MDL No: MFCD14636476
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₆ClNO₂
Molecular Weight: 205.68
Synonyms: (2E)-4-(piperidin-1-yl)but-2-enoic acid hydrochloride
SMILES: OC(/C=C/CN1CCCCC1)=O.Cl[H]
Tpsa: 40.54
Logp: 2.171
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 3
Purity:
97%
MDL No:
MFCD14636476
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₆ClNO₂
Molecular Weight:
205.68
Synonyms:
(2E)-4-(piperidin-1-yl)but-2-enoic acid hydrochloride
SMILES:
OC(/C=C/CN1CCCCC1)=O.Cl[H]
Tpsa:
40.54
Logp:
2.171
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₁BrN₂O₂S
Molecular Weight: 279.15
Synonyms: tert-butyl N-(5-bromo-1,3-thiazol-4-yl)carbamate
SMILES: O=C(OC(C)(C)C)NC1=C(Br)SC=N1
Tpsa: 51.22
Logp: 3.2526
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₁BrN₂O₂S
Molecular Weight:
279.15
Synonyms:
tert-butyl N-(5-bromo-1,3-thiazol-4-yl)carbamate
SMILES:
O=C(OC(C)(C)C)NC1=C(Br)SC=N1
Tpsa:
51.22
Logp:
3.2526
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
1