CS-0536298
Isopropyl (4,6-diamino-2-(1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-5-yl)(methyl)carbamate
Manufacturer: ChemScene
CAS Number: 625115-54-0
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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
C₂₂H₂₃FN₈O₂
Molecular Weight
450.47
Synonyms
Riociguat-14
SMILES
O=C(OC(C)C)N(C=1C(=NC(=NC1N)C2=NN(C=3N=CC=CC23)CC=4C=CC=CC4F)N)C
Tpsa
138.07
Logp
3.2213
H Acceptors
9
H Donors
2
Rotatable Bonds
5
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: C₂₂H₂₃FN₈O₂
Molecular Weight: 450.47
Synonyms: Riociguat-14
SMILES: O=C(OC(C)C)N(C=1C(=NC(=NC1N)C2=NN(C=3N=CC=CC23)CC=4C=CC=CC4F)N)C
Tpsa: 138.07
Logp: 3.2213
H Acceptors: 9
H Donors: 2
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₃FN₈O₂
Molecular Weight:
450.47
Synonyms:
Riociguat-14
SMILES:
O=C(OC(C)C)N(C=1C(=NC(=NC1N)C2=NN(C=3N=CC=CC23)CC=4C=CC=CC4F)N)C
Tpsa:
138.07
Logp:
3.2213
H Acceptors:
9
H Donors:
2
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₂₆N₂O₃
Molecular Weight: 354.44
Synonyms: Vinpocetine Impurity 19
SMILES: CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(C2)(C(=O)OC)O
Tpsa: 54.7
Logp: 2.9525
H Acceptors: 5
H Donors: 1
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:
C₂₁H₂₆N₂O₃
Molecular Weight:
354.44
Synonyms:
Vinpocetine Impurity 19
SMILES:
CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(C2)(C(=O)OC)O
Tpsa:
54.7
Logp:
2.9525
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: -20°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₃FO₂
Molecular Weight: 232.25
Synonyms: [4-[(3-Fluorophenyl)methoxy]phenyl]methanol
SMILES: C1=CC(=CC(=C1)F)COC2=CC=C(C=C2)CO
Tpsa: 29.46
Logp: 2.897
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
-20°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₃FO₂
Molecular Weight:
232.25
Synonyms:
[4-[(3-Fluorophenyl)methoxy]phenyl]methanol
SMILES:
C1=CC(=CC(=C1)F)COC2=CC=C(C=C2)CO
Tpsa:
29.46
Logp:
2.897
H Acceptors:
2
H Donors:
1
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: C₁₅H₁₄N₂O₆
Molecular Weight: 318.28
Synonyms: 2,6-Dimethyl-3,5-dicarboxy-4-(2-nitrophenyl)-1,4-dihydropyridine
SMILES: CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC=CC=C2[N+](=O)[O-])C(=O)O
Tpsa: 129.77
Logp: 1.9988
H Acceptors: 5
H Donors: 3
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:
C₁₅H₁₄N₂O₆
Molecular Weight:
318.28
Synonyms:
2,6-Dimethyl-3,5-dicarboxy-4-(2-nitrophenyl)-1,4-dihydropyridine
SMILES:
CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC=CC=C2[N+](=O)[O-])C(=O)O
Tpsa:
129.77
Logp:
1.9988
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
4