CS-0144456
N-Debenzoyl-N-cinnamoylpaclitaxel
Manufacturer: ChemScene
CAS Number: 219783-77-4
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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
C₄₉H₅₃NO₁₄
Molecular Weight
879.94
Synonyms
3'-N-Debenzoyl-3'-N-cinnamoylpaclitaxel; Paclitaxel IMpurity O
SMILES
CC(O[C@]12[C@@]3([H])[C@@H]([C@]4(C(C)(C([C@H](C([C@@]3([C@H](C[C@@]1([H])OC2)O)C)=O)OC(C)=O)=C([C@H](C4)OC([C@H](O)[C@H](C5=CC=CC=C5)NC(/C=C/C6=CC=CC=C6)=O)=O)C)C)O)OC(C7=CC=CC=C7)=O)=O
Tpsa
221.29
Logp
4.1353
H Acceptors
14
H Donors
4
Rotatable Bonds
11
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 219783-77-4 | Paclitaxel Impurity O | A2B Chem | -- |
SAFETY INFORMATION
Pictograms
Signal Word
Danger
UN Number
2811
Class
6.1
Packing Group
Ⅲ
Hazard Statements
Precautionary Statements
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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: C₄₉H₅₃NO₁₄
Molecular Weight: 879.94
Synonyms: 3'-N-Debenzoyl-3'-N-cinnamoylpaclitaxel; Paclitaxel IMpurity O
SMILES: CC(O[C@]12[C@@]3([H])[C@@H]([C@]4(C(C)(C([C@H](C([C@@]3([C@H](C[C@@]1([H])OC2)O)C)=O)OC(C)=O)=C([C@H](C4)OC([C@H](O)[C@H](C5=CC=CC=C5)NC(/C=C/C6=CC=CC=C6)=O)=O)C)C)O)OC(C7=CC=CC=C7)=O)=O
Tpsa: 221.29
Logp: 4.1353
H Acceptors: 14
H Donors: 4
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₉H₅₃NO₁₄
Molecular Weight:
879.94
Synonyms:
3'-N-Debenzoyl-3'-N-cinnamoylpaclitaxel; Paclitaxel IMpurity O
SMILES:
CC(O[C@]12[C@@]3([H])[C@@H]([C@]4(C(C)(C([C@H](C([C@@]3([C@H](C[C@@]1([H])OC2)O)C)=O)OC(C)=O)=C([C@H](C4)OC([C@H](O)[C@H](C5=CC=CC=C5)NC(/C=C/C6=CC=CC=C6)=O)=O)C)C)O)OC(C7=CC=CC=C7)=O)=O
Tpsa:
221.29
Logp:
4.1353
H Acceptors:
14
H Donors:
4
Rotatable Bonds:
11
Purity: 97%
MDL No: None
Storage: -20°C, sealed storage, away from moisture
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₁N₃O
Molecular Weight: 153.18
Synonyms: 1H-1,2,3-Triazole-4-carboxaldehyde, 1-(1,1-dimethylethyl)- (9CI)
SMILES: O=CC1=CN(C(C)(C)C)N=N1
Tpsa: 47.78
Logp: 0.8456
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
-20°C, sealed storage, away from moisture
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₁N₃O
Molecular Weight:
153.18
Synonyms:
1H-1,2,3-Triazole-4-carboxaldehyde, 1-(1,1-dimethylethyl)- (9CI)
SMILES:
O=CC1=CN(C(C)(C)C)N=N1
Tpsa:
47.78
Logp:
0.8456
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
1
Purity: 97%
MDL No: MFCD06208028
Storage: 4°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₈O₄
Molecular Weight: 144.13
Synonyms: 2-Methyleneglutaric acid
SMILES: O=C(O)C(CCC(O)=O)=C
Tpsa: 74.6
Logp: 0.492
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 4
Purity:
97%
MDL No:
MFCD06208028
Storage:
4°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₈O₄
Molecular Weight:
144.13
Synonyms:
2-Methyleneglutaric acid
SMILES:
O=C(O)C(CCC(O)=O)=C
Tpsa:
74.6
Logp:
0.492
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
4
Purity: 97%
MDL No: MFCD28124082
Storage: 4°C, stored under argon
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₂O₃
Molecular Weight: 252.26
Synonyms: None
SMILES: O=C(C1=CC=C(O)C=C1)C2=CC=C(OCC#C)C=C2
Tpsa: 46.53
Logp: 2.6352
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 4
Purity:
97%
MDL No:
MFCD28124082
Storage:
4°C, stored under argon
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₂O₃
Molecular Weight:
252.26
Synonyms:
None
SMILES:
O=C(C1=CC=C(O)C=C1)C2=CC=C(OCC#C)C=C2
Tpsa:
46.53
Logp:
2.6352
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
4