CS-1000850
5-[5-[(3,5-Dimethyl-1-piperazinyl)sulfonyl]-2-ethoxyphenyl]-1,6-dihydro-1-methyl-3-propyl-7H-pyrazolo[4,3-d]pyrimidine-7-thione
Manufacturer: ChemScene
CAS Number: 1260112-90-0
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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
C₂₃H₃₂N₆O₃S₂
Molecular Weight
504.67
Synonyms
None
SMILES
O=S(=O)(C=1C=CC(OCC)=C(C1)C2=NC(=S)C3=C(N2)C(=NN3C)CCC)N4CC(NC(C)C4)C
Tpsa
105.14
Logp
3.41499
H Acceptors
8
H Donors
2
Rotatable Bonds
7
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₂₃H₃₂N₆O₃S₂
Molecular Weight: 504.67
Synonyms: None
SMILES: O=S(=O)(C=1C=CC(OCC)=C(C1)C2=NC(=S)C3=C(N2)C(=NN3C)CCC)N4CC(NC(C)C4)C
Tpsa: 105.14
Logp: 3.41499
H Acceptors: 8
H Donors: 2
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₃₂N₆O₃S₂
Molecular Weight:
504.67
Synonyms:
None
SMILES:
O=S(=O)(C=1C=CC(OCC)=C(C1)C2=NC(=S)C3=C(N2)C(=NN3C)CCC)N4CC(NC(C)C4)C
Tpsa:
105.14
Logp:
3.41499
H Acceptors:
8
H Donors:
2
Rotatable Bonds:
7
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₂₆O₂
Molecular Weight: 310.43
Synonyms: None
SMILES: C(C)[C@@]12C(=C3[C@](CC1)([C@@]4(C(CC3)=CC(=O)CC4)[H])[H])CC[C@]2(C#C)O
Tpsa: 37.3
Logp: 3.9468
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 1
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₆O₂
Molecular Weight:
310.43
Synonyms:
None
SMILES:
C(C)[C@@]12C(=C3[C@](CC1)([C@@]4(C(CC3)=CC(=O)CC4)[H])[H])CC[C@]2(C#C)O
Tpsa:
37.3
Logp:
3.9468
H Acceptors:
2
H Donors:
1
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: C₁₅H₂₃ClN₂
Molecular Weight: 266.81
Synonyms: None
SMILES: N([C@@H](C)C1=CC=CC=C1)[C@H]2C3CCN(C2)CC3.Cl
Tpsa: 15.27
Logp: 2.8532
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:
C₁₅H₂₃ClN₂
Molecular Weight:
266.81
Synonyms:
None
SMILES:
N([C@@H](C)C1=CC=CC=C1)[C@H]2C3CCN(C2)CC3.Cl
Tpsa:
15.27
Logp:
2.8532
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: C₂₂H₂₁ClN₂O₃
Molecular Weight: 396.87
Synonyms: None
SMILES: O=C(OCC)N1CCC(=C2C=3N=CC=CC3CC(=O)C=4C=C(Cl)C=CC42)CC1
Tpsa: 59.5
Logp: 4.528
H Acceptors: 4
H Donors: 0
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:
C₂₂H₂₁ClN₂O₃
Molecular Weight:
396.87
Synonyms:
None
SMILES:
O=C(OCC)N1CCC(=C2C=3N=CC=CC3CC(=O)C=4C=C(Cl)C=CC42)CC1
Tpsa:
59.5
Logp:
4.528
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
1