CS-0498643
5-(tert-Butoxycarbonyl)-7,7-dimethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
Manufacturer: ChemScene
CAS Number: 2171296-00-5
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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
C₁₄H₂₁N₃O₄
Molecular Weight
295.33
Synonyms
5H-Pyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid, 1,4,6,7-tetrahydro-7,7-dimethyl-, 5-(1,1-dimethylethyl) ester
SMILES
O=C(C1=NNC2=C1CN(C(OC(C)(C)C)=O)CC2(C)C)O
Tpsa
95.52
Logp
2.1362
H Acceptors
4
H Donors
2
Rotatable Bonds
1
Related Products
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-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: C₁₄H₂₁N₃O₄
Molecular Weight: 295.33
Synonyms: 5H-Pyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid, 1,4,6,7-tetrahydro-7,7-dimethyl-, 5-(1,1-dimethylethyl) ester
SMILES: O=C(C1=NNC2=C1CN(C(OC(C)(C)C)=O)CC2(C)C)O
Tpsa: 95.52
Logp: 2.1362
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₂₁N₃O₄
Molecular Weight:
295.33
Synonyms:
5H-Pyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid, 1,4,6,7-tetrahydro-7,7-dimethyl-, 5-(1,1-dimethylethyl) ester
SMILES:
O=C(C1=NNC2=C1CN(C(OC(C)(C)C)=O)CC2(C)C)O
Tpsa:
95.52
Logp:
2.1362
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₆BFO₃
Molecular Weight: 167.93
Synonyms: None
SMILES: OC1=CC=C2COB(O)C2=C1F
Tpsa: 49.69
Logp: -0.251
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₆BFO₃
Molecular Weight:
167.93
Synonyms:
None
SMILES:
OC1=CC=C2COB(O)C2=C1F
Tpsa:
49.69
Logp:
-0.251
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₈BrNO
Molecular Weight: 214.06
Synonyms: None
SMILES: BrC1=NC=CC=C1OC2CC2
Tpsa: 22.12
Logp: 2.3853
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₈BrNO
Molecular Weight:
214.06
Synonyms:
None
SMILES:
BrC1=NC=CC=C1OC2CC2
Tpsa:
22.12
Logp:
2.3853
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
2
Purity: 97%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C6H6Cl3N
Molecular Weight: 198.48
Synonyms: Pyridine, 5-chloro-2-(chloroMethyl)-, hydrochloride
SMILES: ClCC1=NC=C(C=C1)Cl.[H]Cl
Tpsa: 12.89
Logp: 2.8956
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C6H6Cl3N
Molecular Weight:
198.48
Synonyms:
Pyridine, 5-chloro-2-(chloroMethyl)-, hydrochloride
SMILES:
ClCC1=NC=C(C=C1)Cl.[H]Cl
Tpsa:
12.89
Logp:
2.8956
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
1