CS-0898896
(S)-6-(Dipropylamino)-2-((S)-3-methyl-2-(6-(2-(methylsulfonyl)pyrimidin-5-yl)hex-5-ynamido)butanamido)hexanoic acid
Manufacturer: ChemScene
CAS Number: 2821769-84-8
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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
C₂₈H₄₅N₅O₆S
Molecular Weight
579.75
Synonyms
None
SMILES
CCCN(CCC)CCCC[C@@H](C(O)=O)NC([C@H](C(C)C)NC(CCCC#CC1=CN=C(S(C)(=O)=O)N=C1)=O)=O
Tpsa
158.66
Logp
2.4044
H Acceptors
8
H Donors
3
Rotatable Bonds
18
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: C₂₈H₄₅N₅O₆S
Molecular Weight: 579.75
Synonyms: None
SMILES: CCCN(CCC)CCCC[C@@H](C(O)=O)NC([C@H](C(C)C)NC(CCCC#CC1=CN=C(S(C)(=O)=O)N=C1)=O)=O
Tpsa: 158.66
Logp: 2.4044
H Acceptors: 8
H Donors: 3
Rotatable Bonds: 18
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₈H₄₅N₅O₆S
Molecular Weight:
579.75
Synonyms:
None
SMILES:
CCCN(CCC)CCCC[C@@H](C(O)=O)NC([C@H](C(C)C)NC(CCCC#CC1=CN=C(S(C)(=O)=O)N=C1)=O)=O
Tpsa:
158.66
Logp:
2.4044
H Acceptors:
8
H Donors:
3
Rotatable Bonds:
18
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₈N₂O₄
Molecular Weight: 184.15
Synonyms: None
SMILES: O=C(C1=NC=C(OC)C(OC)=N1)O
Tpsa: 81.54
Logp: 0.192
H Acceptors: 5
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:
C₇H₈N₂O₄
Molecular Weight:
184.15
Synonyms:
None
SMILES:
O=C(C1=NC=C(OC)C(OC)=N1)O
Tpsa:
81.54
Logp:
0.192
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
3
Purity: 97%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₂O₂
Molecular Weight: 188.22
Synonyms: None
SMILES: OCC1=C2C=CC(OC)=CC2=CC=C1
Tpsa: 29.46
Logp: 2.3407
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₂O₂
Molecular Weight:
188.22
Synonyms:
None
SMILES:
OCC1=C2C=CC(OC)=CC2=CC=C1
Tpsa:
29.46
Logp:
2.3407
H Acceptors:
2
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: C₆H₄BrCl₂N
Molecular Weight: 240.91
Synonyms: None
SMILES: NC1=CC(Br)=CC(Cl)=C1Cl
Tpsa: 26.02
Logp: 3.3381
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₄BrCl₂N
Molecular Weight:
240.91
Synonyms:
None
SMILES:
NC1=CC(Br)=CC(Cl)=C1Cl
Tpsa:
26.02
Logp:
3.3381
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
0