CS-1000931
β-Cyclopentyl-4-(6,7-dihydro-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazole-1-propanenitrile
Manufacturer: ChemScene
CAS Number: 1289219-45-9
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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
C₁₇H₁₈N₆O
Molecular Weight
322.36
Synonyms
None
SMILES
N#CCC(N1N=CC(=C1)C=2N=CN=C3NC(=O)CC32)C4CCCC4
Tpsa
96.49
Logp
2.47968
H Acceptors
6
H Donors
1
Rotatable Bonds
4
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: C₁₇H₁₈N₆O
Molecular Weight: 322.36
Synonyms: None
SMILES: N#CCC(N1N=CC(=C1)C=2N=CN=C3NC(=O)CC32)C4CCCC4
Tpsa: 96.49
Logp: 2.47968
H Acceptors: 6
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:
C₁₇H₁₈N₆O
Molecular Weight:
322.36
Synonyms:
None
SMILES:
N#CCC(N1N=CC(=C1)C=2N=CN=C3NC(=O)CC32)C4CCCC4
Tpsa:
96.49
Logp:
2.47968
H Acceptors:
6
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: C₃₁H₄₅O₂?
Molecular Weight: 449.69
Synonyms: None
SMILES: CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC/C(C)=C/C=C(C(C1=C2C=CC=C1)=O)\[C](C)C2=O
Tpsa: 34.14
Logp: 8.97179
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 13
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₁H₄₅O₂?
Molecular Weight:
449.69
Synonyms:
None
SMILES:
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC/C(C)=C/C=C(C(C1=C2C=CC=C1)=O)\[C](C)C2=O
Tpsa:
34.14
Logp:
8.97179
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
13
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₈FN₃O₈
Molecular Weight: 387.32
Synonyms: None
SMILES: O(C(C)=O)[C@H]1[C@@H](O[C@H](COC(C)=O)[C@H]1OC(C)=O)N2C(=O)N=C(N)C(F)=C2
Tpsa: 149.04
Logp: -0.7115
H Acceptors: 11
H Donors: 1
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:
C₁₅H₁₈FN₃O₈
Molecular Weight:
387.32
Synonyms:
None
SMILES:
O(C(C)=O)[C@H]1[C@@H](O[C@H](COC(C)=O)[C@H]1OC(C)=O)N2C(=O)N=C(N)C(F)=C2
Tpsa:
149.04
Logp:
-0.7115
H Acceptors:
11
H Donors:
1
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: C₄₃H₆₅NO₁₂
Molecular Weight: 787.98
Synonyms: None
SMILES: O=C1OC(C(=CC2CC(=O)C(O)CC2)C)C(C)C(O)CC(=O)C(C=C(C)CC(C)CC(OC)C3OC(O)(C(=O)C(=O)N4CCCCC14)C(C)CC3OC)CC=C
Tpsa: 186.2
Logp: 4.1931
H Acceptors: 12
H Donors: 3
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:
C₄₃H₆₅NO₁₂
Molecular Weight:
787.98
Synonyms:
None
SMILES:
O=C1OC(C(=CC2CC(=O)C(O)CC2)C)C(C)C(O)CC(=O)C(C=C(C)CC(C)CC(OC)C3OC(O)(C(=O)C(=O)N4CCCCC14)C(C)CC3OC)CC=C
Tpsa:
186.2
Logp:
4.1931
H Acceptors:
12
H Donors:
3
Rotatable Bonds:
6