CS-0927881
10-Oxo-Deacetyl Bacatin III
Manufacturer: ChemScene
CAS Number: 92950-45-3
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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
C₂₉H₃₄O₁₀
Molecular Weight
542.57
Synonyms
None
SMILES
CC(O[C@]12[C@@]3([H])[C@@H]([C@]4(C(C)(C(C(C([C@@]3([C@H](C[C@@]1([H])OC2)O)C)=O)=O)=C([C@H](C4)O)C)C)O)OC(C5=CC=CC=C5)=O)=O
Tpsa
156.66
Logp
1.29
H Acceptors
10
H Donors
3
Rotatable Bonds
3
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: C₂₉H₃₄O₁₀
Molecular Weight: 542.57
Synonyms: None
SMILES: CC(O[C@]12[C@@]3([H])[C@@H]([C@]4(C(C)(C(C(C([C@@]3([C@H](C[C@@]1([H])OC2)O)C)=O)=O)=C([C@H](C4)O)C)C)O)OC(C5=CC=CC=C5)=O)=O
Tpsa: 156.66
Logp: 1.29
H Acceptors: 10
H Donors: 3
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:
C₂₉H₃₄O₁₀
Molecular Weight:
542.57
Synonyms:
None
SMILES:
CC(O[C@]12[C@@]3([H])[C@@H]([C@]4(C(C)(C(C(C([C@@]3([C@H](C[C@@]1([H])OC2)O)C)=O)=O)=C([C@H](C4)O)C)C)O)OC(C5=CC=CC=C5)=O)=O
Tpsa:
156.66
Logp:
1.29
H Acceptors:
10
H Donors:
3
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: C₁₄H₁₄BrFN₂O₄
Molecular Weight: 373.17
Synonyms: None
SMILES: BrC1=CC(N)=C(F)C=C1N(C(OCC=C)=O)C(OCC=C)=O
Tpsa: 81.86
Logp: 3.622
H Acceptors: 5
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:
C₁₄H₁₄BrFN₂O₄
Molecular Weight:
373.17
Synonyms:
None
SMILES:
BrC1=CC(N)=C(F)C=C1N(C(OCC=C)=O)C(OCC=C)=O
Tpsa:
81.86
Logp:
3.622
H Acceptors:
5
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: C₁₆H₁₆BrFN₂O₅
Molecular Weight: 415.21
Synonyms: None
SMILES: BrC1=CC(NC(C)=O)=C(F)C=C1N(C(OCC=C)=O)C(OCC=C)=O
Tpsa: 84.94
Logp: 3.9982
H Acceptors: 5
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:
C₁₆H₁₆BrFN₂O₅
Molecular Weight:
415.21
Synonyms:
None
SMILES:
BrC1=CC(NC(C)=O)=C(F)C=C1N(C(OCC=C)=O)C(OCC=C)=O
Tpsa:
84.94
Logp:
3.9982
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Store at room temperature, keep dry and cool
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₄ClNO
Molecular Weight: 199.68
Synonyms: None
SMILES: OCC1=CC(CCCN2)=C2C=C1.[H]Cl
Tpsa: 32.26
Logp: 1.9588
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Store at room temperature, keep dry and cool
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₄ClNO
Molecular Weight:
199.68
Synonyms:
None
SMILES:
OCC1=CC(CCCN2)=C2C=C1.[H]Cl
Tpsa:
32.26
Logp:
1.9588
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
1