CS-0042466
(S)-2'-Oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1375541-21-1
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Purity
98%
MDL No
MFCD27987764
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₅H₁₁N₃O₃
Molecular Weight
281.27
Synonyms
Ubrogepant Intermediate
SMILES
O=C(C1=CN=C2C(C[C@@]3(C4=CC=CN=C4NC3=O)C2)=C1)O
Tpsa
92.18
Logp
1.1635
H Acceptors
4
H Donors
2
Rotatable Bonds
1
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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
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Purity: 98%
MDL No: MFCD27987764
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₁N₃O₃
Molecular Weight: 281.27
Synonyms: Ubrogepant Intermediate
SMILES: O=C(C1=CN=C2C(C[C@@]3(C4=CC=CN=C4NC3=O)C2)=C1)O
Tpsa: 92.18
Logp: 1.1635
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD27987764
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₁N₃O₃
Molecular Weight:
281.27
Synonyms:
Ubrogepant Intermediate
SMILES:
O=C(C1=CN=C2C(C[C@@]3(C4=CC=CN=C4NC3=O)C2)=C1)O
Tpsa:
92.18
Logp:
1.1635
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
1
Purity: 98%
MDL No: MFCD18837719
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₁BrO₂
Molecular Weight: 207.07
Synonyms: Ethyl 2-bromo-2-cyclopropylacetate
SMILES: O=C(OCC)C(Br)C1CC1
Tpsa: 26.3
Logp: 1.723
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD18837719
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₁BrO₂
Molecular Weight:
207.07
Synonyms:
Ethyl 2-bromo-2-cyclopropylacetate
SMILES:
O=C(OCC)C(Br)C1CC1
Tpsa:
26.3
Logp:
1.723
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: MFCD12761270
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₆O₂
Molecular Weight: 192.25
Synonyms: cis-3-Benzyloxymethylcyclobutanol
SMILES: OC1CC(COCC2=CC=CC=C2)C1
Tpsa: 29.46
Logp: 1.9741
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
MFCD12761270
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₆O₂
Molecular Weight:
192.25
Synonyms:
cis-3-Benzyloxymethylcyclobutanol
SMILES:
OC1CC(COCC2=CC=CC=C2)C1
Tpsa:
29.46
Logp:
1.9741
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: MFCD18072544
Storage: RT, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₇N₃
Molecular Weight: 133.15
Synonyms: 1,2-diamino-3-cyanobenzene
SMILES: N#CC1=CC=CC(N)=C1N
Tpsa: 75.83
Logp: 0.72268
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 0
Purity:
98%
MDL No:
MFCD18072544
Storage:
RT, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₇N₃
Molecular Weight:
133.15
Synonyms:
1,2-diamino-3-cyanobenzene
SMILES:
N#CC1=CC=CC(N)=C1N
Tpsa:
75.83
Logp:
0.72268
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
0