CS-1005152
Calcium Dobesilate Impurity 1
Manufacturer: ChemScene
CAS Number: 877-19-0
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Purity
97%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₆H₄O₅S
Molecular Weight
188.16
Synonyms
None
SMILES
O=C1C=CC(=O)C(=C1)S(=O)(=O)O
Tpsa
88.51
Logp
-0.5339
H Acceptors
4
H Donors
1
Rotatable Bonds
1
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: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₄O₅S
Molecular Weight: 188.16
Synonyms: None
SMILES: O=C1C=CC(=O)C(=C1)S(=O)(=O)O
Tpsa: 88.51
Logp: -0.5339
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₄O₅S
Molecular Weight:
188.16
Synonyms:
None
SMILES:
O=C1C=CC(=O)C(=C1)S(=O)(=O)O
Tpsa:
88.51
Logp:
-0.5339
H Acceptors:
4
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: C₂₄H₂₈Cl₂FN₅O
Molecular Weight: 492.42
Synonyms: None
SMILES: FC1=CC=C(Cl)C(=C1Cl)C(OC=2C=C(C=NC2N)C=3C=NN(C3)C4CCN(CC4)C(C)C)C
Tpsa: 69.2
Logp: 6.1585
H Acceptors: 6
H Donors: 1
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:
C₂₄H₂₈Cl₂FN₅O
Molecular Weight:
492.42
Synonyms:
None
SMILES:
FC1=CC=C(Cl)C(=C1Cl)C(OC=2C=C(C=NC2N)C=3C=NN(C3)C4CCN(CC4)C(C)C)C
Tpsa:
69.2
Logp:
6.1585
H Acceptors:
6
H Donors:
1
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: C₄₉H₆₆N₁₀O₁₀S₂
Molecular Weight: 1019.24
Synonyms: None
SMILES: C(C=1C=2C(NC1)=CC=CC2)[C@H]3NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@@H](NC([C@@H](CC5=CC=CC=C5)N)=O)CSSC[C@@H](C(N[C@@H]([C@@H](C)O)CO)=O)NC(=O)[C@@]([C@H](C)O)(NC(=O)[C@H](CCCCN)NC3=O)[H]
Tpsa: 332.22
Logp: -0.8054
H Acceptors: 14
H Donors: 13
Rotatable Bonds: 17
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₉H₆₆N₁₀O₁₀S₂
Molecular Weight:
1019.24
Synonyms:
None
SMILES:
C(C=1C=2C(NC1)=CC=CC2)[C@H]3NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@@H](NC([C@@H](CC5=CC=CC=C5)N)=O)CSSC[C@@H](C(N[C@@H]([C@@H](C)O)CO)=O)NC(=O)[C@@]([C@H](C)O)(NC(=O)[C@H](CCCCN)NC3=O)[H]
Tpsa:
332.22
Logp:
-0.8054
H Acceptors:
14
H Donors:
13
Rotatable Bonds:
17
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₅H₂₈N₆O₇S₃
Molecular Weight: 620.72
Synonyms: None
SMILES: C(OCOC(C(C)(C)C)=O)(=O)C=1N2[C@@]([C@H](NC(/C(=N/OC)/C3=CSC(N)=N3)=O)C2=O)(SCC1/C=C\C4=C(C)N=CS4)[H]
Tpsa: 175.4
Logp: 2.29812
H Acceptors: 14
H Donors: 2
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₂₈N₆O₇S₃
Molecular Weight:
620.72
Synonyms:
None
SMILES:
C(OCOC(C(C)(C)C)=O)(=O)C=1N2[C@@]([C@H](NC(/C(=N/OC)/C3=CSC(N)=N3)=O)C2=O)(SCC1/C=C\C4=C(C)N=CS4)[H]
Tpsa:
175.4
Logp:
2.29812
H Acceptors:
14
H Donors:
2
Rotatable Bonds:
9