CS-0571118
5-(2-Ethoxy-5-(((3R,5S)-4-ethyl-3,5-dimethylpiperazin-1-yl)sulfonyl)phenyl)-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Manufacturer: ChemScene
CAS Number: 1425504-78-4
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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
C₂₅H₃₆N₆O₄S
Molecular Weight
516.66
Synonyms
None
SMILES
CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4C[C@H](N([C@H](C4)C)CC)C)OCC)C
Tpsa
113.42
Logp
2.778
H Acceptors
8
H Donors
1
Rotatable Bonds
8
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: C₂₅H₃₆N₆O₄S
Molecular Weight: 516.66
Synonyms: None
SMILES: CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4C[C@H](N([C@H](C4)C)CC)C)OCC)C
Tpsa: 113.42
Logp: 2.778
H Acceptors: 8
H Donors: 1
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₃₆N₆O₄S
Molecular Weight:
516.66
Synonyms:
None
SMILES:
CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4C[C@H](N([C@H](C4)C)CC)C)OCC)C
Tpsa:
113.42
Logp:
2.778
H Acceptors:
8
H Donors:
1
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₇H₃₅N₅O₆
Molecular Weight: 525.60
Synonyms: Pixantrone-bis-(2’-N-BOC)
SMILES: O=C(OC(C)(C)C)NCCNC1=CC=C(NCCNC(=O)OC(C)(C)C)C=2C(=O)C=3C=CN=CC3C(=O)C12
Tpsa: 147.75
Logp: 3.7302
H Acceptors: 9
H Donors: 4
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₇H₃₅N₅O₆
Molecular Weight:
525.60
Synonyms:
Pixantrone-bis-(2’-N-BOC)
SMILES:
O=C(OC(C)(C)C)NCCNC1=CC=C(NCCNC(=O)OC(C)(C)C)C=2C(=O)C=3C=CN=CC3C(=O)C12
Tpsa:
147.75
Logp:
3.7302
H Acceptors:
9
H Donors:
4
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₂O₄
Molecular Weight: 208.21
Synonyms: 3-hydroxy-5,6-dimethoxy-1-indanone
SMILES: O=C1C2=CC(OC)=C(OC)C=C2C(O)C1
Tpsa: 55.76
Logp: 1.3236
H Acceptors: 4
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:
C₁₁H₁₂O₄
Molecular Weight:
208.21
Synonyms:
3-hydroxy-5,6-dimethoxy-1-indanone
SMILES:
O=C1C2=CC(OC)=C(OC)C=C2C(O)C1
Tpsa:
55.76
Logp:
1.3236
H Acceptors:
4
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: C₁₃H₁₆N₂O₃
Molecular Weight: 248.28
Synonyms: Ropivacaine-016
SMILES: O=C(OC)C1N(C(=O)C2=NC=CC=C2)CCCC1
Tpsa: 59.5
Logp: 1.2493
H Acceptors: 4
H Donors: 0
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:
C₁₃H₁₆N₂O₃
Molecular Weight:
248.28
Synonyms:
Ropivacaine-016
SMILES:
O=C(OC)C1N(C(=O)C2=NC=CC=C2)CCCC1
Tpsa:
59.5
Logp:
1.2493
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2