CS-1000440
Docetaxel Impurity 56
Manufacturer: ChemScene
CAS Number: 1112457-40-5
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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
C₅₁H₅₇Cl₆NO₁₉
Molecular Weight
1200.71
Synonyms
None
SMILES
O(C(C)=O)[C@]12[C@@]3([C@@](C)([C@@H](OC(OCC(Cl)(Cl)Cl)=O)C[C@]1(OC2)[H])C(=O)[C@H](OC(OCC(Cl)(Cl)Cl)=O)C=4C(C)(C)[C@](O)([C@H]3OC(=O)C5=CC=CC=C5)C[C@H](OC([C@@H]([C@@H](NC(OC(C)(C)C)=O)C6=CC=CC=C6)OC(C)=O)=O)C4C)[H]
Tpsa
261.12
Logp
8.8926
H Acceptors
19
H Donors
2
Rotatable Bonds
13
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: C₅₁H₅₇Cl₆NO₁₉
Molecular Weight: 1200.71
Synonyms: None
SMILES: O(C(C)=O)[C@]12[C@@]3([C@@](C)([C@@H](OC(OCC(Cl)(Cl)Cl)=O)C[C@]1(OC2)[H])C(=O)[C@H](OC(OCC(Cl)(Cl)Cl)=O)C=4C(C)(C)[C@](O)([C@H]3OC(=O)C5=CC=CC=C5)C[C@H](OC([C@@H]([C@@H](NC(OC(C)(C)C)=O)C6=CC=CC=C6)OC(C)=O)=O)C4C)[H]
Tpsa: 261.12
Logp: 8.8926
H Acceptors: 19
H Donors: 2
Rotatable Bonds: 13
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₁H₅₇Cl₆NO₁₉
Molecular Weight:
1200.71
Synonyms:
None
SMILES:
O(C(C)=O)[C@]12[C@@]3([C@@](C)([C@@H](OC(OCC(Cl)(Cl)Cl)=O)C[C@]1(OC2)[H])C(=O)[C@H](OC(OCC(Cl)(Cl)Cl)=O)C=4C(C)(C)[C@](O)([C@H]3OC(=O)C5=CC=CC=C5)C[C@H](OC([C@@H]([C@@H](NC(OC(C)(C)C)=O)C6=CC=CC=C6)OC(C)=O)=O)C4C)[H]
Tpsa:
261.12
Logp:
8.8926
H Acceptors:
19
H Donors:
2
Rotatable Bonds:
13
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₈O₅
Molecular Weight: 372.45
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C([C@H](C)C3)=CC(=O)C=C4)(C(=O)C1)[H])[H])(CC[C@@]2(C(CO)=O)O)[H]
Tpsa: 91.67
Logp: 2.0118
H Acceptors: 5
H Donors: 2
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:
C₂₂H₂₈O₅
Molecular Weight:
372.45
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C([C@H](C)C3)=CC(=O)C=C4)(C(=O)C1)[H])[H])(CC[C@@]2(C(CO)=O)O)[H]
Tpsa:
91.67
Logp:
2.0118
H Acceptors:
5
H Donors:
2
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: C₂H₄S₃
Molecular Weight: 124.25
Synonyms: None
SMILES: S=C(S)SC
Tpsa: 0
Logp: 1.5641
H Acceptors: 2
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:
C₂H₄S₃
Molecular Weight:
124.25
Synonyms:
None
SMILES:
S=C(S)SC
Tpsa:
0
Logp:
1.5641
H Acceptors:
2
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: C₁₁H₁₅NO₂
Molecular Weight: 193.24
Synonyms: None
SMILES: O=CC1=CC=CC(=C1OCC(N)C)C
Tpsa: 52.32
Logp: 1.53352
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₅NO₂
Molecular Weight:
193.24
Synonyms:
None
SMILES:
O=CC1=CC=CC(=C1OCC(N)C)C
Tpsa:
52.32
Logp:
1.53352
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
4