CS-0914669
Cangrelor Impurity 12
Manufacturer: ChemScene
CAS Number: 163706-57-8
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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
C₂₄H₃₀F₃N₅O₈S₂
Molecular Weight
637.65
Synonyms
None
SMILES
N(CCSC)(C(C)=O)C1=C2C(N(C=N2)[C@H]3[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O3)=NC(SCCC(F)(F)F)=N1
Tpsa
152.04
Logp
2.9106
H Acceptors
14
H Donors
0
Rotatable Bonds
12
Related Products
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: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₃₀F₃N₅O₈S₂
Molecular Weight: 637.65
Synonyms: None
SMILES: N(CCSC)(C(C)=O)C1=C2C(N(C=N2)[C@H]3[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O3)=NC(SCCC(F)(F)F)=N1
Tpsa: 152.04
Logp: 2.9106
H Acceptors: 14
H Donors: 0
Rotatable Bonds: 12
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₃₀F₃N₅O₈S₂
Molecular Weight:
637.65
Synonyms:
None
SMILES:
N(CCSC)(C(C)=O)C1=C2C(N(C=N2)[C@H]3[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O3)=NC(SCCC(F)(F)F)=N1
Tpsa:
152.04
Logp:
2.9106
H Acceptors:
14
H Donors:
0
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₂₄F₃N₅O₈S
Molecular Weight: 563.50
Synonyms: None
SMILES: O(C(C)=O)[C@H]1[C@@H](O[C@H](COC(C)=O)[C@H]1OC(C)=O)N2C=3C(N=C2)=C(NC(C)=O)N=C(SCCC(F)(F)F)N3
Tpsa: 160.83
Logp: 2.1531
H Acceptors: 13
H Donors: 1
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:
C₂₁H₂₄F₃N₅O₈S
Molecular Weight:
563.50
Synonyms:
None
SMILES:
O(C(C)=O)[C@H]1[C@@H](O[C@H](COC(C)=O)[C@H]1OC(C)=O)N2C=3C(N=C2)=C(NC(C)=O)N=C(SCCC(F)(F)F)N3
Tpsa:
160.83
Logp:
2.1531
H Acceptors:
13
H Donors:
1
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: C₁₂H₂₂O₂
Molecular Weight: 198.30
Synonyms: None
SMILES: C(/C=C/CCCCC(OC)=O)(CC)C
Tpsa: 26.3
Logp: 3.3221
H Acceptors: 2
H Donors: 0
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:
C₁₂H₂₂O₂
Molecular Weight:
198.30
Synonyms:
None
SMILES:
C(/C=C/CCCCC(OC)=O)(CC)C
Tpsa:
26.3
Logp:
3.3221
H Acceptors:
2
H Donors:
0
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: C₉H₁₆O₂
Molecular Weight: 156.22
Synonyms: None
SMILES: C(=C/C(C)C)\CCCC(O)=O
Tpsa: 37.3
Logp: 2.4535
H Acceptors: 1
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:
C₉H₁₆O₂
Molecular Weight:
156.22
Synonyms:
None
SMILES:
C(=C/C(C)C)\CCCC(O)=O
Tpsa:
37.3
Logp:
2.4535
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
5